diff --git a/sphinxman/master/_modules/index.html b/sphinxman/master/_modules/index.html
index 256420fc15..9a77e287dd 100644
--- a/sphinxman/master/_modules/index.html
+++ b/sphinxman/master/_modules/index.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/index.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/index.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/aliases.html b/sphinxman/master/_modules/psi4/driver/aliases.html
index 004e62055a..24c5df96d7 100644
--- a/sphinxman/master/_modules/psi4/driver/aliases.html
+++ b/sphinxman/master/_modules/psi4/driver/aliases.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/aliases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -385,7 +385,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/aliases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -399,7 +399,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/diatomic.html b/sphinxman/master/_modules/psi4/driver/diatomic.html
index 641a9d2c16..2e74545747 100644
--- a/sphinxman/master/_modules/psi4/driver/diatomic.html
+++ b/sphinxman/master/_modules/psi4/driver/diatomic.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/diatomic.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -461,7 +461,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/diatomic.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -475,7 +475,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver.html b/sphinxman/master/_modules/psi4/driver/driver.html
index b225ced85f..4c7f39adc5 100644
--- a/sphinxman/master/_modules/psi4/driver/driver.html
+++ b/sphinxman/master/_modules/psi4/driver/driver.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2314,7 +2314,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2328,7 +2328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_cbs.html b/sphinxman/master/_modules/psi4/driver/driver_cbs.html
index 2914dde4de..d435563088 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_cbs.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_cbs.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2012,7 +2012,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2026,7 +2026,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html b/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
index 9d6631e0b6..78b050443b 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_cbs_helper.html
@@ -46,7 +46,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs_helper.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -893,7 +893,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_cbs_helper.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_findif.html b/sphinxman/master/_modules/psi4/driver/driver_findif.html
index 2d289326b6..56b36e34d6 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_findif.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_findif.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_findif.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1747,7 +1747,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_findif.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1761,7 +1761,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver_nbody.html b/sphinxman/master/_modules/psi4/driver/driver_nbody.html
index 7b4eb654fa..d839b02d9f 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_nbody.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_nbody.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_nbody.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1725,7 +1725,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/driver_nbody.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1739,7 +1739,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/frac.html b/sphinxman/master/_modules/psi4/driver/frac.html
index bcde620016..306ef342e5 100644
--- a/sphinxman/master/_modules/psi4/driver/frac.html
+++ b/sphinxman/master/_modules/psi4/driver/frac.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/frac.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -978,7 +978,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/frac.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -992,7 +992,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/inputparser.html b/sphinxman/master/_modules/psi4/driver/inputparser.html
index 6d68fda636..88aa6e53cf 100644
--- a/sphinxman/master/_modules/psi4/driver/inputparser.html
+++ b/sphinxman/master/_modules/psi4/driver/inputparser.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/inputparser.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -951,7 +951,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/inputparser.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -965,7 +965,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/ipi_broker.html b/sphinxman/master/_modules/psi4/driver/ipi_broker.html
index fa9a7939d9..c5f4357a66 100644
--- a/sphinxman/master/_modules/psi4/driver/ipi_broker.html
+++ b/sphinxman/master/_modules/psi4/driver/ipi_broker.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/ipi_broker.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -346,7 +346,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/ipi_broker.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -360,7 +360,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/mdi_engine.html b/sphinxman/master/_modules/psi4/driver/mdi_engine.html
index b79dd240a9..1aad3706a7 100644
--- a/sphinxman/master/_modules/psi4/driver/mdi_engine.html
+++ b/sphinxman/master/_modules/psi4/driver/mdi_engine.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/mdi_engine.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -659,7 +659,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/mdi_engine.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -673,7 +673,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/molutil.html b/sphinxman/master/_modules/psi4/driver/molutil.html
index ce9e456d30..3d0eb6652a 100644
--- a/sphinxman/master/_modules/psi4/driver/molutil.html
+++ b/sphinxman/master/_modules/psi4/driver/molutil.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/molutil.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,10 +209,20 @@ <h1>Source code for psi4.driver.molutil</h1><div class="highlight"><pre>
         <span class="n">missing_enabled_return_qm</span><span class="o">=</span><span class="n">missing_enabled_return_qm</span><span class="p">,</span>
         <span class="n">missing_enabled_return_efp</span><span class="o">=</span><span class="n">missing_enabled_return_efp</span><span class="p">,</span>
         <span class="n">verbose</span><span class="o">=</span><span class="n">verbose</span><span class="p">)</span>
+
+    <span class="n">qmol</span> <span class="o">=</span> <span class="n">core</span><span class="o">.</span><span class="n">Molecule</span><span class="o">.</span><span class="n">from_dict</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s1">&#39;qm&#39;</span><span class="p">])</span>
+
+    <span class="k">if</span> <span class="s2">&quot;geom&quot;</span> <span class="ow">in</span> <span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;qm&quot;</span><span class="p">]:</span>
+        <span class="n">geom</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;qm&quot;</span><span class="p">][</span><span class="s2">&quot;geom&quot;</span><span class="p">])</span><span class="o">.</span><span class="n">reshape</span><span class="p">((</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">))</span>
+        <span class="k">if</span> <span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;qm&quot;</span><span class="p">][</span><span class="s2">&quot;units&quot;</span><span class="p">]</span> <span class="o">==</span> <span class="s2">&quot;Angstrom&quot;</span><span class="p">:</span>
+            <span class="c1"># beware if qcel and psi4 choose different sets of constants</span>
+            <span class="n">geom</span> <span class="o">=</span> <span class="n">geom</span> <span class="o">/</span> <span class="n">constants</span><span class="o">.</span><span class="n">bohr2angstroms</span>
+        <span class="n">qmol</span><span class="o">.</span><span class="n">_initial_cartesian</span> <span class="o">=</span> <span class="n">core</span><span class="o">.</span><span class="n">Matrix</span><span class="o">.</span><span class="n">from_array</span><span class="p">(</span><span class="n">geom</span><span class="p">)</span>
+
     <span class="k">if</span> <span class="n">return_dict</span><span class="p">:</span>
-        <span class="k">return</span> <span class="n">core</span><span class="o">.</span><span class="n">Molecule</span><span class="o">.</span><span class="n">from_dict</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s1">&#39;qm&#39;</span><span class="p">]),</span> <span class="n">molrec</span>
+        <span class="k">return</span> <span class="n">qmol</span><span class="p">,</span> <span class="n">molrec</span>
     <span class="k">else</span><span class="p">:</span>
-        <span class="k">return</span> <span class="n">core</span><span class="o">.</span><span class="n">Molecule</span><span class="o">.</span><span class="n">from_dict</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s1">&#39;qm&#39;</span><span class="p">])</span>
+        <span class="k">return</span> <span class="n">qmol</span>
 
 
 <span class="nd">@classmethod</span>
@@ -292,8 +302,13 @@ <h1>Source code for psi4.driver.molutil</h1><div class="highlight"><pre>
         <span class="n">verbose</span><span class="o">=</span><span class="n">verbose</span><span class="p">)</span>
 
     <span class="n">qmol</span> <span class="o">=</span> <span class="n">core</span><span class="o">.</span><span class="n">Molecule</span><span class="o">.</span><span class="n">from_dict</span><span class="p">(</span><span class="n">molrec</span><span class="p">)</span>
-    <span class="n">geom</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;geom&quot;</span><span class="p">])</span><span class="o">.</span><span class="n">reshape</span><span class="p">((</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">))</span>
-    <span class="n">qmol</span><span class="o">.</span><span class="n">_initial_cartesian</span> <span class="o">=</span> <span class="n">core</span><span class="o">.</span><span class="n">Matrix</span><span class="o">.</span><span class="n">from_array</span><span class="p">(</span><span class="n">geom</span><span class="p">)</span>
+
+    <span class="k">if</span> <span class="s2">&quot;geom&quot;</span> <span class="ow">in</span> <span class="n">molrec</span><span class="p">:</span>
+        <span class="n">geom</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;geom&quot;</span><span class="p">])</span><span class="o">.</span><span class="n">reshape</span><span class="p">((</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">))</span>
+        <span class="k">if</span> <span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;units&quot;</span><span class="p">]</span> <span class="o">==</span> <span class="s2">&quot;Angstrom&quot;</span><span class="p">:</span>
+            <span class="c1"># beware if qcel and psi4 choose different sets of constants</span>
+            <span class="n">geom</span> <span class="o">=</span> <span class="n">geom</span> <span class="o">/</span> <span class="n">constants</span><span class="o">.</span><span class="n">bohr2angstroms</span>
+        <span class="n">qmol</span><span class="o">.</span><span class="n">_initial_cartesian</span> <span class="o">=</span> <span class="n">core</span><span class="o">.</span><span class="n">Matrix</span><span class="o">.</span><span class="n">from_array</span><span class="p">(</span><span class="n">geom</span><span class="p">)</span>
 
     <span class="k">if</span> <span class="n">return_dict</span><span class="p">:</span>
         <span class="k">return</span> <span class="n">qmol</span><span class="p">,</span> <span class="n">molrec</span>
@@ -330,6 +345,8 @@ <h1>Source code for psi4.driver.molutil</h1><div class="highlight"><pre>
 
     <span class="n">qmol</span> <span class="o">=</span> <span class="n">core</span><span class="o">.</span><span class="n">Molecule</span><span class="o">.</span><span class="n">from_dict</span><span class="p">(</span><span class="n">molrec</span><span class="p">)</span>
     <span class="n">geom</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;geom&quot;</span><span class="p">])</span><span class="o">.</span><span class="n">reshape</span><span class="p">((</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">))</span>
+    <span class="c1"># presently molschema are formats required to be in Bohr Cartesian</span>
+    <span class="c1">#   if the format expands, convert _initial_cartesian to Bohr and conditionalize setting the prop</span>
     <span class="n">qmol</span><span class="o">.</span><span class="n">_initial_cartesian</span> <span class="o">=</span> <span class="n">core</span><span class="o">.</span><span class="n">Matrix</span><span class="o">.</span><span class="n">from_array</span><span class="p">(</span><span class="n">geom</span><span class="p">)</span>
 
     <span class="k">if</span> <span class="n">return_dict</span><span class="p">:</span>
@@ -391,6 +408,11 @@ <h1>Source code for psi4.driver.molutil</h1><div class="highlight"><pre>
 
     <span class="n">molecule</span> <span class="o">=</span> <span class="n">core</span><span class="o">.</span><span class="n">Molecule</span><span class="o">.</span><span class="n">from_dict</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s1">&#39;qm&#39;</span><span class="p">])</span>
     <span class="k">if</span> <span class="s2">&quot;geom&quot;</span> <span class="ow">in</span> <span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;qm&quot;</span><span class="p">]:</span>
+        <span class="c1"># for fully-specified w/frame (dtype=&quot;psi4&quot; passed in &quot;geom&quot;, not Zmat or</span>
+        <span class="c1">#   vars for dtype=&quot;psi4+&quot; passed in &quot;geom_unsettled&quot;), save frame in</span>
+        <span class="c1">#   Bohr in `_initial_cartesian` for resetting through `Molecule.set_geometry`</span>
+        <span class="c1">#   if nocom/noreorient/c1 needs to be set retroactively in driver for</span>
+        <span class="c1">#   alignment with other data (e.g., point charges, polarizable embedding).</span>
         <span class="n">geom</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;qm&quot;</span><span class="p">][</span><span class="s2">&quot;geom&quot;</span><span class="p">])</span><span class="o">.</span><span class="n">reshape</span><span class="p">((</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">))</span>
         <span class="k">if</span> <span class="n">molrec</span><span class="p">[</span><span class="s2">&quot;qm&quot;</span><span class="p">][</span><span class="s2">&quot;units&quot;</span><span class="p">]</span> <span class="o">==</span> <span class="s2">&quot;Angstrom&quot;</span><span class="p">:</span>
             <span class="c1"># beware if qcel and psi4 choose different sets of constants</span>
@@ -491,7 +513,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/molutil.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -505,7 +527,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/p4util/exceptions.html b/sphinxman/master/_modules/psi4/driver/p4util/exceptions.html
index 5d3557279b..6a17f82656 100644
--- a/sphinxman/master/_modules/psi4/driver/p4util/exceptions.html
+++ b/sphinxman/master/_modules/psi4/driver/p4util/exceptions.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/p4util/exceptions.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -745,7 +745,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/p4util/exceptions.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -759,7 +759,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/p4util/fchk.html b/sphinxman/master/_modules/psi4/driver/p4util/fchk.html
index 3f65188f17..b70ea94dec 100644
--- a/sphinxman/master/_modules/psi4/driver/p4util/fchk.html
+++ b/sphinxman/master/_modules/psi4/driver/p4util/fchk.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/p4util/fchk.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -430,7 +430,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/p4util/fchk.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -444,7 +444,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/p4util/fcidump.html b/sphinxman/master/_modules/psi4/driver/p4util/fcidump.html
index 6b7a4f7a17..108dae22c0 100644
--- a/sphinxman/master/_modules/psi4/driver/p4util/fcidump.html
+++ b/sphinxman/master/_modules/psi4/driver/p4util/fcidump.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/p4util/fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -632,7 +632,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/p4util/fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -646,7 +646,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/p4util/inpsight.html b/sphinxman/master/_modules/psi4/driver/p4util/inpsight.html
index d6bc2494fc..c2e593fdad 100644
--- a/sphinxman/master/_modules/psi4/driver/p4util/inpsight.html
+++ b/sphinxman/master/_modules/psi4/driver/p4util/inpsight.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/p4util/inpsight.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -858,7 +858,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/p4util/inpsight.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -872,7 +872,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/p4util/numpy_helper.html b/sphinxman/master/_modules/psi4/driver/p4util/numpy_helper.html
index fd9888d416..a77da717f8 100644
--- a/sphinxman/master/_modules/psi4/driver/p4util/numpy_helper.html
+++ b/sphinxman/master/_modules/psi4/driver/p4util/numpy_helper.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../../../../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -1454,7 +1454,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f15a0e7546..e2bf10492d 100644
--- a/sphinxman/master/_modules/psi4/driver/qmmm.html
+++ b/sphinxman/master/_modules/psi4/driver/qmmm.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -390,7 +390,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d6811d92f7..c7e9f8aac3 100644
--- a/sphinxman/master/_modules/psi4/driver/task_base.html
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@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -478,7 +478,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 63e9243ff6..9ead0c2fb7 100644
--- a/sphinxman/master/_modules/psi4/driver/task_planner.html
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@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -485,7 +485,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d3f1af020d..daf9edb47b 100644
--- a/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
+++ b/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 2e0b49583d..2f70b5f778 100644
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+++ b/sphinxman/master/_modules/psi4/driver/wrapper_database.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/_modules/psi4/extras.html b/sphinxman/master/_modules/psi4/extras.html
index 65dc4fc8d6..00a175ba0f 100644
--- a/sphinxman/master/_modules/psi4/extras.html
+++ b/sphinxman/master/_modules/psi4/extras.html
@@ -46,7 +46,7 @@
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-    <script src="../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -488,7 +488,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -502,7 +502,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/qcdb/vib.html b/sphinxman/master/_modules/qcdb/vib.html
index 8cf22dc845..fc214298ef 100644
--- a/sphinxman/master/_modules/qcdb/vib.html
+++ b/sphinxman/master/_modules/qcdb/vib.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcdb/vib.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1419,7 +1419,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcdb/vib.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1433,7 +1433,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/qcelemental/testing.html b/sphinxman/master/_modules/qcelemental/testing.html
index 9c8e863efb..6c71b3c33e 100644
--- a/sphinxman/master/_modules/qcelemental/testing.html
+++ b/sphinxman/master/_modules/qcelemental/testing.html
@@ -46,7 +46,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../../_static/documentation_options.js?v=12306456"></script>
+    <script src="../../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcelemental/testing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -776,7 +776,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/qcelemental/testing.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -790,7 +790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_sources/autodoc_testsuite_corepsi4.rst.txt b/sphinxman/master/_sources/autodoc_testsuite_corepsi4.rst.txt
index 71f78ac1a4..8328670adc 100644
--- a/sphinxman/master/_sources/autodoc_testsuite_corepsi4.rst.txt
+++ b/sphinxman/master/_sources/autodoc_testsuite_corepsi4.rst.txt
@@ -253,6 +253,7 @@ Input File                                                Description
 :srcsample:`dfep2-1`                                      Compute three IP and 2 EA's for the PH3 molecule
 :srcsample:`scf4`                                         RHF cc-pVDZ energy for water, automatically scanning the symmetric stretch and bending coordinates using Python's built-in loop mechanisms.  The geometry is specified using a Z-matrix with variables that are updated during the potential energy surface scan, and then the same procedure is performed using polar coordinates, converted to Cartesian coordinates.
 :srcsample:`ci-multi`                                     BH single points, checking that program can run multiple instances of  DETCI in a single input, without an intervening clean() call
+:srcsample:`extern5`                                      External potential sanity check with 0 charge far away Checks if all units behave the same and energy is same as no potential
 :srcsample:`dfmp2-freq2`                                  DF-MP2 frequency by difference of energies for H2O
 :srcsample:`dft-custom-hybrid`                            DFT (hybrids) test of implementations in: hybrid_superfuncs.py
 :srcsample:`mints4`                                       A demonstration of mixed Cartesian/ZMatrix geometry specification, using variables, for the benzene-hydronium complex.  Atoms can be placed using ZMatrix coordinates, whether they belong to the same fragment or not.  Note that the Cartesian specification must come before the ZMatrix entries because the former define absolute positions, while the latter are relative.
diff --git a/sphinxman/master/_static/documentation_options.js b/sphinxman/master/_static/documentation_options.js
index ff0c1713ed..d5981179a4 100644
--- a/sphinxman/master/_static/documentation_options.js
+++ b/sphinxman/master/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: 'b0a4576',
+    VERSION: '96bfb21',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
diff --git a/sphinxman/master/adc.html b/sphinxman/master/adc.html
index 572059e7c7..b1e014c166 100644
--- a/sphinxman/master/adc.html
+++ b/sphinxman/master/adc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -505,7 +505,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -519,7 +519,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/adcc.html b/sphinxman/master/adcc.html
index 2b59e5a085..3ec6952228 100644
--- a/sphinxman/master/adcc.html
+++ b/sphinxman/master/adcc.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adcc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -379,7 +379,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/adcc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -393,7 +393,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/add_tests.html b/sphinxman/master/add_tests.html
index c0494f509a..d9d0ea88d5 100644
--- a/sphinxman/master/add_tests.html
+++ b/sphinxman/master/add_tests.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/add_tests.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -879,7 +879,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/add_tests.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -892,7 +892,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.AOShellCombinationsIterator.html b/sphinxman/master/api/psi4.core.AOShellCombinationsIterator.html
index 9879e31246..05c9f8c895 100644
--- a/sphinxman/master/api/psi4.core.AOShellCombinationsIterator.html
+++ b/sphinxman/master/api/psi4.core.AOShellCombinationsIterator.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.AOShellCombinationsIterator.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.AOShellCombinationsIterator.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -302,7 +302,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.AngularMomentumInt.html b/sphinxman/master/api/psi4.core.AngularMomentumInt.html
index d6d57a4e45..a17518fd23 100644
--- a/sphinxman/master/api/psi4.core.AngularMomentumInt.html
+++ b/sphinxman/master/api/psi4.core.AngularMomentumInt.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -298,7 +298,7 @@ <h3>Navigation</h3>
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@@ -312,7 +312,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 096852b08d..22a1149c73 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -273,7 +273,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -634,7 +634,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -309,7 +309,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -323,7 +323,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 50ae9caa83..d7bb9bbf15 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.CCWavefunction.html
+++ b/sphinxman/master/api/psi4.core.CCWavefunction.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -271,7 +271,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -285,7 +285,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.CIVector.html
+++ b/sphinxman/master/api/psi4.core.CIVector.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -389,7 +389,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -403,7 +403,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 98ec44cfc6..a1814d614b 100644
--- a/sphinxman/master/api/psi4.core.CIWavefunction.html
+++ b/sphinxman/master/api/psi4.core.CIWavefunction.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -566,7 +566,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 982520ea5e..6a9938f623 100644
--- a/sphinxman/master/api/psi4.core.CUHF.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -264,7 +264,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 1fa972a6c6..c563a5eeb3 100644
--- a/sphinxman/master/api/psi4.core.CdSalc.html
+++ b/sphinxman/master/api/psi4.core.CdSalc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.CdSalc.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f7f2913b0f..bacfa129ed 100644
--- a/sphinxman/master/api/psi4.core.CdSalcList.html
+++ b/sphinxman/master/api/psi4.core.CdSalcList.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -283,7 +283,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.CharacterTable.html b/sphinxman/master/api/psi4.core.CharacterTable.html
index 1c58e7dcaf..c4f7e4d990 100644
--- a/sphinxman/master/api/psi4.core.CharacterTable.html
+++ b/sphinxman/master/api/psi4.core.CharacterTable.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8b0442e056..b9213c88e0 100644
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+++ b/sphinxman/master/api/psi4.core.CompositeJK.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.CorrelationFactor.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ccf98c773f..e71f13ea1c 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 8144dad8d0..6681c94e14 100644
--- a/sphinxman/master/api/psi4.core.DASUM.html
+++ b/sphinxman/master/api/psi4.core.DASUM.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d5a30c141a..85281c5c1e 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DCOPY.html b/sphinxman/master/api/psi4.core.DCOPY.html
index 4ba78c5dae..f605ba2133 100644
--- a/sphinxman/master/api/psi4.core.DCOPY.html
+++ b/sphinxman/master/api/psi4.core.DCOPY.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d59897704d..d37783a344 100644
--- a/sphinxman/master/api/psi4.core.DDOT.html
+++ b/sphinxman/master/api/psi4.core.DDOT.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.DDOT.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 8eca99b429..a9aa51198f 100644
--- a/sphinxman/master/api/psi4.core.DFEP2Wavefunction.html
+++ b/sphinxman/master/api/psi4.core.DFEP2Wavefunction.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DFHelper.html b/sphinxman/master/api/psi4.core.DFHelper.html
index 1bf9784b73..b4753a0368 100644
--- a/sphinxman/master/api/psi4.core.DFHelper.html
+++ b/sphinxman/master/api/psi4.core.DFHelper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -452,7 +452,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -466,7 +466,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DFSOMCSCF.html b/sphinxman/master/api/psi4.core.DFSOMCSCF.html
index cc9327bc95..aca51c19a7 100644
--- a/sphinxman/master/api/psi4.core.DFSOMCSCF.html
+++ b/sphinxman/master/api/psi4.core.DFSOMCSCF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.DFSOMCSCF.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DFTGrid.html b/sphinxman/master/api/psi4.core.DFTGrid.html
index 9c6b8eab52..fd1ebe232c 100644
--- a/sphinxman/master/api/psi4.core.DFTGrid.html
+++ b/sphinxman/master/api/psi4.core.DFTGrid.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.DFTGrid.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.DFTensor.html b/sphinxman/master/api/psi4.core.DFTensor.html
index 27095ff4a8..a799f2a8d7 100644
--- a/sphinxman/master/api/psi4.core.DFTensor.html
+++ b/sphinxman/master/api/psi4.core.DFTensor.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7dfbea361b..695de39917 100644
--- a/sphinxman/master/api/psi4.core.DGBMV.html
+++ b/sphinxman/master/api/psi4.core.DGBMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.DGEEV.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.DGEMM.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 27554f520c..7b4bed7c2f 100644
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+++ b/sphinxman/master/api/psi4.core.DGETRI.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 77d1512f17..c162e3a33c 100644
--- a/sphinxman/master/api/psi4.core.DGETRS.html
+++ b/sphinxman/master/api/psi4.core.DGETRS.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.DNRM2.html
+++ b/sphinxman/master/api/psi4.core.DNRM2.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1443895113..3240ab577b 100644
--- a/sphinxman/master/api/psi4.core.DPOTRF.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c2f7d90ae1..8deb52b443 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.DPOTRS.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index da68a06cff..8c6b50782e 100644
--- a/sphinxman/master/api/psi4.core.DROT.html
+++ b/sphinxman/master/api/psi4.core.DROT.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 98224e45dd..5396f637e2 100644
--- a/sphinxman/master/api/psi4.core.DSBMV.html
+++ b/sphinxman/master/api/psi4.core.DSBMV.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1db2b1c6d9..4d98534006 100644
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+++ b/sphinxman/master/api/psi4.core.DSCAL.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5c8acb9723..0acff1ba3d 100644
--- a/sphinxman/master/api/psi4.core.DSWAP.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 69c0cded0a..ddc13972c5 100644
--- a/sphinxman/master/api/psi4.core.DSYEV.html
+++ b/sphinxman/master/api/psi4.core.DSYEV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 18c428e6e2..7c2d8b6523 100644
--- a/sphinxman/master/api/psi4.core.DSYMM.html
+++ b/sphinxman/master/api/psi4.core.DSYMM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 76fcc3c60d..967900cb9e 100644
--- a/sphinxman/master/api/psi4.core.DSYMV.html
+++ b/sphinxman/master/api/psi4.core.DSYMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e09f2d0f90..5ad2b66175 100644
--- a/sphinxman/master/api/psi4.core.DSYR.html
+++ b/sphinxman/master/api/psi4.core.DSYR.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c578e16e2e..a8f56508bb 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 48887d4097..9951ae7586 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.DTBMV.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.core.DTBSV.html b/sphinxman/master/api/psi4.core.DTBSV.html
index b47924105a..6a5b4404af 100644
--- a/sphinxman/master/api/psi4.core.DTBSV.html
+++ b/sphinxman/master/api/psi4.core.DTBSV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.DTRMM.html
+++ b/sphinxman/master/api/psi4.core.DTRMM.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 87d6f07bbf..5b91ec375b 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index bfd21db44d..1ee9ba8244 100644
--- a/sphinxman/master/api/psi4.core.DTRSM.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 58c5e3ab8a..f871ba8616 100644
--- a/sphinxman/master/api/psi4.core.DTRSV.html
+++ b/sphinxman/master/api/psi4.core.DTRSV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 27daad61f7..b1fd12496f 100644
--- a/sphinxman/master/api/psi4.core.Deriv.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 14a1025f2a..4ffee20a32 100644
--- a/sphinxman/master/api/psi4.core.DerivCalcType.html
+++ b/sphinxman/master/api/psi4.core.DerivCalcType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -251,7 +251,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -265,7 +265,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7d5c770356..a82451e9f4 100644
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+++ b/sphinxman/master/api/psi4.core.DiagonalizeOrder.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -447,7 +447,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 463200a74c..a8a5db0a20 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.ElectrostaticInt.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -323,7 +323,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 46dcd22a70..597c1ff75f 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
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@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.core.FDDS_Dispersion.html
+++ b/sphinxman/master/api/psi4.core.FDDS_Dispersion.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -313,7 +313,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -327,7 +327,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6d6d927019..17d887c2c2 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -503,7 +503,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -517,7 +517,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 99092f6a46..d441f9a9c0 100644
--- a/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
+++ b/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3ef97fb587..d7b0ff44e6 100644
--- a/sphinxman/master/api/psi4.core.FittingMetric.html
+++ b/sphinxman/master/api/psi4.core.FittingMetric.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -323,7 +323,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5ec66c826f..8f396e3890 100644
--- a/sphinxman/master/api/psi4.core.FragmentType.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -264,7 +264,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.core.Functional.html b/sphinxman/master/api/psi4.core.Functional.html
index cad5cbac93..5979f91776 100644
--- a/sphinxman/master/api/psi4.core.Functional.html
+++ b/sphinxman/master/api/psi4.core.Functional.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.Functional.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -473,7 +473,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.Functional.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -487,7 +487,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.GaussianShell.html b/sphinxman/master/api/psi4.core.GaussianShell.html
index 60695dcca1..430957dbc2 100644
--- a/sphinxman/master/api/psi4.core.GaussianShell.html
+++ b/sphinxman/master/api/psi4.core.GaussianShell.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -369,7 +369,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -383,7 +383,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.GaussianType.html b/sphinxman/master/api/psi4.core.GaussianType.html
index cdfb001025..c2457c7e3f 100644
--- a/sphinxman/master/api/psi4.core.GaussianType.html
+++ b/sphinxman/master/api/psi4.core.GaussianType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 33906427c6..0fd4fc4487 100644
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+++ b/sphinxman/master/api/psi4.core.GeometryUnits.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -1004,7 +1004,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -406,7 +406,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b0329a197b..5ded1de0b0 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -513,7 +513,7 @@ <h3>Navigation</h3>
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@@ -527,7 +527,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -615,7 +615,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -581,7 +581,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -283,7 +283,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -340,7 +340,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -1145,7 +1145,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -1117,7 +1117,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -1796,7 +1796,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d0f3e5be8b..61ffaa2207 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index aa71f4805f..91af233a13 100644
--- a/sphinxman/master/api/psi4.core.NumIntHelper.html
+++ b/sphinxman/master/api/psi4.core.NumIntHelper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2c8304c920..ec2cf4a8ea 100644
--- a/sphinxman/master/api/psi4.core.OEProp.html
+++ b/sphinxman/master/api/psi4.core.OEProp.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -378,7 +378,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -392,7 +392,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 26248b05d8..0ce05d1509 100644
--- a/sphinxman/master/api/psi4.core.OneBodyAOInt.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -279,7 +279,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 028266ba58..41e3e6a1ce 100644
--- a/sphinxman/master/api/psi4.core.Options.html
+++ b/sphinxman/master/api/psi4.core.Options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -451,7 +451,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -465,7 +465,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index cea57860cf..32b0f955a2 100644
--- a/sphinxman/master/api/psi4.core.OrbitalSpace.html
+++ b/sphinxman/master/api/psi4.core.OrbitalSpace.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -323,7 +323,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 4ac14c76fe..ac8bfb2fbd 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1b431cda68..44a227c4e3 100644
--- a/sphinxman/master/api/psi4.core.PMLocalizer.html
+++ b/sphinxman/master/api/psi4.core.PMLocalizer.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 73082a4ffa..8b056db3e4 100644
--- a/sphinxman/master/api/psi4.core.PetiteList.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 54a85c31f3..32da8454bd 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -291,7 +291,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a1a4b0cfb6..ffa981626b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 91f494c34e..26330192e8 100644
--- a/sphinxman/master/api/psi4.core.PotentialInt.html
+++ b/sphinxman/master/api/psi4.core.PotentialInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.PotentialInt.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.PrimitiveType.html b/sphinxman/master/api/psi4.core.PrimitiveType.html
index b59f2a1e04..43d3f7f8a8 100644
--- a/sphinxman/master/api/psi4.core.PrimitiveType.html
+++ b/sphinxman/master/api/psi4.core.PrimitiveType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.PrimitiveType.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.Prop.html
+++ b/sphinxman/master/api/psi4.core.Prop.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e3745e5c75..7eabf7ae73 100644
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+++ b/sphinxman/master/api/psi4.core.PsiReturnType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.core.QuadrupoleInt.html
+++ b/sphinxman/master/api/psi4.core.QuadrupoleInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index cb50ca841f..54bdbac97e 100644
--- a/sphinxman/master/api/psi4.core.RHF.html
+++ b/sphinxman/master/api/psi4.core.RHF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -274,7 +274,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c688b217c8..6539c05069 100644
--- a/sphinxman/master/api/psi4.core.RKSFunctions.html
+++ b/sphinxman/master/api/psi4.core.RKSFunctions.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d9724c7413..80a09f4c8e 100644
--- a/sphinxman/master/api/psi4.core.ROHF.html
+++ b/sphinxman/master/api/psi4.core.ROHF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -314,7 +314,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cbf59ef4b4..33e13449b7 100644
--- a/sphinxman/master/api/psi4.core.SADGuess.html
+++ b/sphinxman/master/api/psi4.core.SADGuess.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -294,7 +294,7 @@ <h3>Navigation</h3>
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@@ -308,7 +308,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5d5583a909..4bd163805d 100644
--- a/sphinxman/master/api/psi4.core.SOMCSCF.html
+++ b/sphinxman/master/api/psi4.core.SOMCSCF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -384,7 +384,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -398,7 +398,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 591e5b2920..fdd4e292e2 100644
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+++ b/sphinxman/master/api/psi4.core.SalcComponent.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.SaveType.html b/sphinxman/master/api/psi4.core.SaveType.html
index 69f2b71272..1585cc1f33 100644
--- a/sphinxman/master/api/psi4.core.SaveType.html
+++ b/sphinxman/master/api/psi4.core.SaveType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -264,7 +264,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a5a2ac8bb6..aee1ddc06e 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 62292eaa08..5cac4d712a 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6cdd5b5ead..02488f28d2 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6b358cdba6..abc5a6cdf2 100644
--- a/sphinxman/master/api/psi4.core.SymmetryOperation.html
+++ b/sphinxman/master/api/psi4.core.SymmetryOperation.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -383,7 +383,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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+++ b/sphinxman/master/api/psi4.core.TLaplaceDenominator.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 58c959fb4c..1bb2cf33af 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.ThreeCenterOverlapInt.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 46aeba0244..746d44761d 100644
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+++ b/sphinxman/master/api/psi4.core.TracelessQuadrupoleInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 33b9fc3070..ec644f4d32 100644
--- a/sphinxman/master/api/psi4.core.TwoBodyAOInt.html
+++ b/sphinxman/master/api/psi4.core.TwoBodyAOInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.TwoElectronInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.UHF.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b13b6e0d30..4c1e906e70 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e99ceb8d24..c91abe0141 100644
--- a/sphinxman/master/api/psi4.core.VBase.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -456,7 +456,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -470,7 +470,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index a257a8f8e3..e3dd6de2d3 100644
--- a/sphinxman/master/api/psi4.core.Vector.html
+++ b/sphinxman/master/api/psi4.core.Vector.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -672,7 +672,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -686,7 +686,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.Vector3.html b/sphinxman/master/api/psi4.core.Vector3.html
index d776dcd604..09fcbb446b 100644
--- a/sphinxman/master/api/psi4.core.Vector3.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.Wavefunction.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -1646,7 +1646,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -1660,7 +1660,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2d904091c2..a311a5101a 100644
--- a/sphinxman/master/api/psi4.core.array_variable.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f95ced5d57..6bf2ead6d4 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index eedfcc6bc4..bee48ce5b4 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.be_quiet.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.core.benchmark_blas1.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 22d651dd17..6a5409cbaf 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.benchmark_blas3.html
+++ b/sphinxman/master/api/psi4.core.benchmark_blas3.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index db4065a644..aa8da087cc 100644
--- a/sphinxman/master/api/psi4.core.benchmark_disk.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 75dbf2c95b..283eb2043c 100644
--- a/sphinxman/master/api/psi4.core.benchmark_integrals.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.ccdensity.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 2354a32b3f..ff8802bcb6 100644
--- a/sphinxman/master/api/psi4.core.ccenergy.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0a22ddef61..88ce5d405a 100644
--- a/sphinxman/master/api/psi4.core.cceom.html
+++ b/sphinxman/master/api/psi4.core.cceom.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.cchbar.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c68cd2c1bc..4ace082403 100644
--- a/sphinxman/master/api/psi4.core.cclambda.html
+++ b/sphinxman/master/api/psi4.core.cclambda.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 95838c5d6b..6200bc34e9 100644
--- a/sphinxman/master/api/psi4.core.ccresponse.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7344ef65e9..1d6360fe79 100644
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+++ b/sphinxman/master/api/psi4.core.cctransort.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7681cce71f..5cf5a08325 100644
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+++ b/sphinxman/master/api/psi4.core.cctriples.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.clean.html b/sphinxman/master/api/psi4.core.clean.html
index 019b4c5ca1..e43bf50793 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3bedb0a263..a9eec906b8 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.core.clean_variables.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d61309b0f4..56dfe83d17 100644
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+++ b/sphinxman/master/api/psi4.core.del_array_variable.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.del_array_variable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c66c5a0598..dd177b7f38 100644
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+++ b/sphinxman/master/api/psi4.core.del_scalar_variable.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.core.dmrg.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 02a6ebb8ff..0a24c9da67 100644
--- a/sphinxman/master/api/psi4.core.doublet.html
+++ b/sphinxman/master/api/psi4.core.doublet.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2618a2a103..5969722d2a 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2eb289f048..1e411c179f 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 5069a3ec2b..9b519b7dd6 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index a547085f75..e23d02dc57 100644
--- a/sphinxman/master/api/psi4.core.finalize.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f15c4898ac..f2c1ff0be6 100644
--- a/sphinxman/master/api/psi4.core.get_global_option_list.html
+++ b/sphinxman/master/api/psi4.core.get_global_option_list.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9e15bcd9db..2a8e0c06ba 100644
--- a/sphinxman/master/api/psi4.core.get_local_option.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 48a3e3148c..fde31fec07 100644
--- a/sphinxman/master/api/psi4.core.get_memory.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 4c0d589e18..a6b064dad3 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 03e7eae40a..6d03d885e8 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.get_option.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.get_options.html b/sphinxman/master/api/psi4.core.get_options.html
index 2b24dd9dc6..d156b0e9a9 100644
--- a/sphinxman/master/api/psi4.core.get_options.html
+++ b/sphinxman/master/api/psi4.core.get_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b242126616..0eaa1e228e 100644
--- a/sphinxman/master/api/psi4.core.get_output_file.html
+++ b/sphinxman/master/api/psi4.core.get_output_file.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b255f077aa..6c127e1ea7 100644
--- a/sphinxman/master/api/psi4.core.get_variable.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9d116cdc3f..78f49d35f5 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.core.get_writer_file_prefix.html
+++ b/sphinxman/master/api/psi4.core.get_writer_file_prefix.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.get_writer_file_prefix.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.get_writer_file_prefix.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index a6a8b4537e..e6c456e63d 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.git_version.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 5a14feb97c..85c5d29ff6 100644
--- a/sphinxman/master/api/psi4.core.has_array_variable.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.has_array_variable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.has_array_variable.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 626ec8b71f..5ebb625368 100644
--- a/sphinxman/master/api/psi4.core.has_global_option_changed.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.has_local_option_changed.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 240ffd3fc6..97dc3fce89 100644
--- a/sphinxman/master/api/psi4.core.initialize.html
+++ b/sphinxman/master/api/psi4.core.initialize.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 93f9b48e39..81132cb8d5 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.outfile_name.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.plugin.html b/sphinxman/master/api/psi4.core.plugin.html
index ae579bac87..6bc06e6ba6 100644
--- a/sphinxman/master/api/psi4.core.plugin.html
+++ b/sphinxman/master/api/psi4.core.plugin.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0aa110635c..181d4405e5 100644
--- a/sphinxman/master/api/psi4.core.plugin_close.html
+++ b/sphinxman/master/api/psi4.core.plugin_close.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.plugin_close_all.html b/sphinxman/master/api/psi4.core.plugin_close_all.html
index 5fd994dbea..0978f575e0 100644
--- a/sphinxman/master/api/psi4.core.plugin_close_all.html
+++ b/sphinxman/master/api/psi4.core.plugin_close_all.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.plugin_load.html b/sphinxman/master/api/psi4.core.plugin_load.html
index c46f9a1c29..52b23b580d 100644
--- a/sphinxman/master/api/psi4.core.plugin_load.html
+++ b/sphinxman/master/api/psi4.core.plugin_load.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.plugin_load.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.prepare_options_for_module.html b/sphinxman/master/api/psi4.core.prepare_options_for_module.html
index 943c37b6db..bb7fb1187e 100644
--- a/sphinxman/master/api/psi4.core.prepare_options_for_module.html
+++ b/sphinxman/master/api/psi4.core.prepare_options_for_module.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.prepare_options_for_module.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.prepare_options_for_module.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.print_global_options.html b/sphinxman/master/api/psi4.core.print_global_options.html
index b8ce7cef66..3780772870 100644
--- a/sphinxman/master/api/psi4.core.print_global_options.html
+++ b/sphinxman/master/api/psi4.core.print_global_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.print_global_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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index cf0b033481..d25397f8e3 100644
--- a/sphinxman/master/api/psi4.core.print_options.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1aab5889bd..b1375afdd4 100644
--- a/sphinxman/master/api/psi4.core.print_variables.html
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.psi_top_srcdir.html
+++ b/sphinxman/master/api/psi4.core.psi_top_srcdir.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4a6ca20e8f..b2515876df 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5c3aa393c5..0494fc1ca8 100644
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+++ b/sphinxman/master/api/psi4.core.psio_entry.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 03be2b3a86..255cf6c5aa 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.core.scalar_variables.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.scalar_variables.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 136086d32e..37446e0569 100644
--- a/sphinxman/master/api/psi4.core.scatter.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.set_local_option.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.set_local_option_python.html
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.core.set_output_file.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.core.set_psi_file_prefix.html b/sphinxman/master/api/psi4.core.set_psi_file_prefix.html
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--- a/sphinxman/master/api/psi4.core.set_psi_file_prefix.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 69572df264..d76f39c18d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index ec29556776..c04b417644 100644
--- a/sphinxman/master/api/psi4.driver.AtomicComputer.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -581,7 +581,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -595,7 +595,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 406d689d0a..c3fc35e134 100644
--- a/sphinxman/master/api/psi4.driver.ConvergenceError.html
+++ b/sphinxman/master/api/psi4.driver.ConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.ConvergenceError.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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index 65b4ac6a61..7d13f16b6d 100644
--- a/sphinxman/master/api/psi4.driver.EmpiricalDispersion.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -483,7 +483,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b5a162fd0c..ce5115618c 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9d3859d174..1cf469f47b 100644
--- a/sphinxman/master/api/psi4.driver.QMMM.html
+++ b/sphinxman/master/api/psi4.driver.QMMM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.QMMMbohr.html
+++ b/sphinxman/master/api/psi4.driver.QMMMbohr.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -271,7 +271,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index abbab4ebb5..4f13dde23a 100644
--- a/sphinxman/master/api/psi4.driver.SCFConvergenceError.html
+++ b/sphinxman/master/api/psi4.driver.SCFConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f5ca00a27b..cbcda589be 100644
--- a/sphinxman/master/api/psi4.driver.TDSCFConvergenceError.html
+++ b/sphinxman/master/api/psi4.driver.TDSCFConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -265,7 +265,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e1ec1f94ce..9e930a35b0 100644
--- a/sphinxman/master/api/psi4.driver.TestComparisonError.html
+++ b/sphinxman/master/api/psi4.driver.TestComparisonError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.UpgradeHelper.html b/sphinxman/master/api/psi4.driver.UpgradeHelper.html
index 11763506cd..6a95e1d2e7 100644
--- a/sphinxman/master/api/psi4.driver.UpgradeHelper.html
+++ b/sphinxman/master/api/psi4.driver.UpgradeHelper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.driver.ValidationError.html b/sphinxman/master/api/psi4.driver.ValidationError.html
index 31598d0721..89e6a1057b 100644
--- a/sphinxman/master/api/psi4.driver.ValidationError.html
+++ b/sphinxman/master/api/psi4.driver.ValidationError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index ef4b157611..7341603eaf 100644
--- a/sphinxman/master/api/psi4.driver.activate.html
+++ b/sphinxman/master/api/psi4.driver.activate.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.activate.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -211,7 +211,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.activate.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.driver.banner.html b/sphinxman/master/api/psi4.driver.banner.html
index dccd0bff90..69475f7bb3 100644
--- a/sphinxman/master/api/psi4.driver.banner.html
+++ b/sphinxman/master/api/psi4.driver.banner.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.basis_helper.html b/sphinxman/master/api/psi4.driver.basis_helper.html
index ee65f20008..e3ae075e5a 100644
--- a/sphinxman/master/api/psi4.driver.basis_helper.html
+++ b/sphinxman/master/api/psi4.driver.basis_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.cbs.html b/sphinxman/master/api/psi4.driver.cbs.html
index f7e35d3685..96e94c4c9d 100644
--- a/sphinxman/master/api/psi4.driver.cbs.html
+++ b/sphinxman/master/api/psi4.driver.cbs.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.cbs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -566,7 +566,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7472c864bd..3d595d5e20 100644
--- a/sphinxman/master/api/psi4.driver.compare_fchkfiles.html
+++ b/sphinxman/master/api/psi4.driver.compare_fchkfiles.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.compare_fchkfiles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.compare_fchkfiles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.compare_fcidumps.html b/sphinxman/master/api/psi4.driver.compare_fcidumps.html
index cf1f9b6190..700e50bc1f 100644
--- a/sphinxman/master/api/psi4.driver.compare_fcidumps.html
+++ b/sphinxman/master/api/psi4.driver.compare_fcidumps.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.compare_fcidumps.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b4faee57ad..fcaed55de7 100644
--- a/sphinxman/master/api/psi4.driver.compare_moldenfiles.html
+++ b/sphinxman/master/api/psi4.driver.compare_moldenfiles.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index bbf67476d3..55ba823525 100644
--- a/sphinxman/master/api/psi4.driver.copy_file_from_scratch.html
+++ b/sphinxman/master/api/psi4.driver.copy_file_from_scratch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.copy_file_from_scratch.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html b/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html
index 10a3eb20f1..f1327c5e81 100644
--- a/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html
+++ b/sphinxman/master/api/psi4.driver.copy_file_to_scratch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.copy_file_to_scratch.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.create_plugin.html b/sphinxman/master/api/psi4.driver.create_plugin.html
index 9babae2048..cf2b936743 100644
--- a/sphinxman/master/api/psi4.driver.create_plugin.html
+++ b/sphinxman/master/api/psi4.driver.create_plugin.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.create_plugin.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.create_plugin.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.cubeprop.html b/sphinxman/master/api/psi4.driver.cubeprop.html
index 89ae7138ff..f608954e5d 100644
--- a/sphinxman/master/api/psi4.driver.cubeprop.html
+++ b/sphinxman/master/api/psi4.driver.cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.cubeprop.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.cubeprop.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.docs_table_link.html b/sphinxman/master/api/psi4.driver.docs_table_link.html
index 12d7b1e275..ef6010c76b 100644
--- a/sphinxman/master/api/psi4.driver.docs_table_link.html
+++ b/sphinxman/master/api/psi4.driver.docs_table_link.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.docs_table_link.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.docs_table_link.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html b/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
index 6d9ad650bd..670bf88560 100644
--- a/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
+++ b/sphinxman/master/api/psi4.driver.dynamic_variable_bind.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.dynamic_variable_bind.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -205,7 +205,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 2578e0da1d..5a49662697 100644
--- a/sphinxman/master/api/psi4.driver.energies_from_fcidump.html
+++ b/sphinxman/master/api/psi4.driver.energies_from_fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.energies_from_fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.energies_from_fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.energy.html b/sphinxman/master/api/psi4.driver.energy.html
index 6ceca292c2..3041d6ccac 100644
--- a/sphinxman/master/api/psi4.driver.energy.html
+++ b/sphinxman/master/api/psi4.driver.energy.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2768,7 +2768,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.energy.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2782,7 +2782,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 66038063f1..2ddf9f4051 100644
--- a/sphinxman/master/api/psi4.driver.fchk.html
+++ b/sphinxman/master/api/psi4.driver.fchk.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -258,7 +258,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.fchk.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e3f522da12..cde1c7d08f 100644
--- a/sphinxman/master/api/psi4.driver.fcidump.html
+++ b/sphinxman/master/api/psi4.driver.fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.fcidump_from_file.html b/sphinxman/master/api/psi4.driver.fcidump_from_file.html
index 4a8203d17a..a1f287b6ea 100644
--- a/sphinxman/master/api/psi4.driver.fcidump_from_file.html
+++ b/sphinxman/master/api/psi4.driver.fcidump_from_file.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.fcidump_from_file.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.fcidump_from_file.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.find_approximate_string_matches.html b/sphinxman/master/api/psi4.driver.find_approximate_string_matches.html
index abe829b1c1..24afc3a0e3 100644
--- a/sphinxman/master/api/psi4.driver.find_approximate_string_matches.html
+++ b/sphinxman/master/api/psi4.driver.find_approximate_string_matches.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.find_approximate_string_matches.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 8266bdaf9d..db0cf44b75 100644
--- a/sphinxman/master/api/psi4.driver.freq.html
+++ b/sphinxman/master/api/psi4.driver.freq.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.freq.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e9b2ebaae1..721033bcf9 100644
--- a/sphinxman/master/api/psi4.driver.frequencies.html
+++ b/sphinxman/master/api/psi4.driver.frequencies.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.frequencies.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.frequencies.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.frequency.html b/sphinxman/master/api/psi4.driver.frequency.html
index 5d78313249..0e8f54402f 100644
--- a/sphinxman/master/api/psi4.driver.frequency.html
+++ b/sphinxman/master/api/psi4.driver.frequency.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.frequency.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.frequency.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.gdma.html b/sphinxman/master/api/psi4.driver.gdma.html
index 70963fa46a..ce49215580 100644
--- a/sphinxman/master/api/psi4.driver.gdma.html
+++ b/sphinxman/master/api/psi4.driver.gdma.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.gdma.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.gdma.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.geometry.html b/sphinxman/master/api/psi4.driver.geometry.html
index ada40a88cd..069b926549 100644
--- a/sphinxman/master/api/psi4.driver.geometry.html
+++ b/sphinxman/master/api/psi4.driver.geometry.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.geometry.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.geometry.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 0bb41e08b5..8fe8cf1e31 100644
--- a/sphinxman/master/api/psi4.driver.get_memory.html
+++ b/sphinxman/master/api/psi4.driver.get_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.gradient.html b/sphinxman/master/api/psi4.driver.gradient.html
index 75a38a4bd3..22975f9324 100644
--- a/sphinxman/master/api/psi4.driver.gradient.html
+++ b/sphinxman/master/api/psi4.driver.gradient.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 64af40eac5..ee78a0910f 100644
--- a/sphinxman/master/api/psi4.driver.hessian.html
+++ b/sphinxman/master/api/psi4.driver.hessian.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 79fe06a1ae..dc82e1e4c9 100644
--- a/sphinxman/master/api/psi4.driver.ipi_broker.html
+++ b/sphinxman/master/api/psi4.driver.ipi_broker.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e158f6d0d9..37bb2449a0 100644
--- a/sphinxman/master/api/psi4.driver.levenshtein.html
+++ b/sphinxman/master/api/psi4.driver.levenshtein.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ee1e880561..43d4403a2f 100644
--- a/sphinxman/master/api/psi4.driver.libint2_configuration.html
+++ b/sphinxman/master/api/psi4.driver.libint2_configuration.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.libint2_configuration.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6aa8d007d7..a16cc10d34 100644
--- a/sphinxman/master/api/psi4.driver.libint2_print_out.html
+++ b/sphinxman/master/api/psi4.driver.libint2_print_out.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.libint2_print_out.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -208,7 +208,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.libint2_print_out.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.mdi_run.html b/sphinxman/master/api/psi4.driver.mdi_run.html
index 9f049e2033..88c646f1a9 100644
--- a/sphinxman/master/api/psi4.driver.mdi_run.html
+++ b/sphinxman/master/api/psi4.driver.mdi_run.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.mdi_run.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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index 40e84f73b4..d499a2ab4e 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -281,7 +281,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.molecule_get_attr.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.driver.molecule_set_attr.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.driver.optimize.html b/sphinxman/master/api/psi4.driver.optimize.html
index d6d41fdb3f..b4705414dc 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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--- a/sphinxman/master/api/psi4.driver.p4util.DIIS.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -276,7 +276,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -512,7 +512,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
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@@ -286,7 +286,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/api/psi4.driver.p4util.Lorentzian.html b/sphinxman/master/api/psi4.driver.p4util.Lorentzian.html
index 54024c0128..8311636e65 100644
--- a/sphinxman/master/api/psi4.driver.p4util.Lorentzian.html
+++ b/sphinxman/master/api/psi4.driver.p4util.Lorentzian.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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--- a/sphinxman/master/api/psi4.driver.p4util.OptionState.html
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -273,7 +273,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -450,7 +450,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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--- a/sphinxman/master/api/psi4.driver.p4util.basis_helper.html
+++ b/sphinxman/master/api/psi4.driver.p4util.basis_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a31da8637d..1736be927c 100644
--- a/sphinxman/master/api/psi4.driver.p4util.block_diagonal_array.html
+++ b/sphinxman/master/api/psi4.driver.p4util.block_diagonal_array.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -212,7 +212,7 @@ <h3>Navigation</h3>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.cg_solver.html
+++ b/sphinxman/master/api/psi4.driver.p4util.cg_solver.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 978584fa9a..b7904c0ff1 100644
--- a/sphinxman/master/api/psi4.driver.p4util.compare_fchkfiles.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 676ec49c83..7f587b7280 100644
--- a/sphinxman/master/api/psi4.driver.p4util.compare_fcidumps.html
+++ b/sphinxman/master/api/psi4.driver.p4util.compare_fcidumps.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.compare_moldenfiles.html b/sphinxman/master/api/psi4.driver.p4util.compare_moldenfiles.html
index 71fa553326..ba0c0365f6 100644
--- a/sphinxman/master/api/psi4.driver.p4util.compare_moldenfiles.html
+++ b/sphinxman/master/api/psi4.driver.p4util.compare_moldenfiles.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 039b28453a..60726351cf 100644
--- a/sphinxman/master/api/psi4.driver.p4util.copy_file_from_scratch.html
+++ b/sphinxman/master/api/psi4.driver.p4util.copy_file_from_scratch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cce84df1ea..65223e2c4a 100644
--- a/sphinxman/master/api/psi4.driver.p4util.copy_file_to_scratch.html
+++ b/sphinxman/master/api/psi4.driver.p4util.copy_file_to_scratch.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2ccf5a01c2..96b3c22667 100644
--- a/sphinxman/master/api/psi4.driver.p4util.cubeprop.html
+++ b/sphinxman/master/api/psi4.driver.p4util.cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.davidson_solver.html b/sphinxman/master/api/psi4.driver.p4util.davidson_solver.html
index 74f59aac91..d8e916186a 100644
--- a/sphinxman/master/api/psi4.driver.p4util.davidson_solver.html
+++ b/sphinxman/master/api/psi4.driver.p4util.davidson_solver.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ccc7679470..98a59dfde1 100644
--- a/sphinxman/master/api/psi4.driver.p4util.docs_table_link.html
+++ b/sphinxman/master/api/psi4.driver.p4util.docs_table_link.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html b/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html
index 00f26cb9be..97e84f27ea 100644
--- a/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html
+++ b/sphinxman/master/api/psi4.driver.p4util.drop_duplicates.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html b/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html
index bcac390cb5..b03420165a 100644
--- a/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html
+++ b/sphinxman/master/api/psi4.driver.p4util.energies_from_fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5229c88642..6cbe339090 100644
--- a/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
+++ b/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.fcidump.html
+++ b/sphinxman/master/api/psi4.driver.p4util.fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html b/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html
index 234aea4a78..0741b8a261 100644
--- a/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html
+++ b/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html b/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html
index 8cd8663a17..f3b71da36f 100644
--- a/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html
+++ b/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.find_approximate_string_matches.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.format_molecule_for_input.html b/sphinxman/master/api/psi4.driver.p4util.format_molecule_for_input.html
index 969e5521ed..64abb88bfd 100644
--- a/sphinxman/master/api/psi4.driver.p4util.format_molecule_for_input.html
+++ b/sphinxman/master/api/psi4.driver.p4util.format_molecule_for_input.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_molecule_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html b/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html
index bcbbf55ba2..ce82fd818c 100644
--- a/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html
+++ b/sphinxman/master/api/psi4.driver.p4util.format_options_for_input.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_options_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.format_options_for_input.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html b/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html
index c879981d12..41bed03f11 100644
--- a/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html
+++ b/sphinxman/master/api/psi4.driver.p4util.free_atom_volumes.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.free_atom_volumes.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.free_atom_volumes.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.get_memory.html b/sphinxman/master/api/psi4.driver.p4util.get_memory.html
index d1b55760d1..4a39481e6b 100644
--- a/sphinxman/master/api/psi4.driver.p4util.get_memory.html
+++ b/sphinxman/master/api/psi4.driver.p4util.get_memory.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.get_psifile.html b/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
index 37ac07784a..411d7a87d7 100644
--- a/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
+++ b/sphinxman/master/api/psi4.driver.p4util.get_psifile.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_psifile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -124,7 +124,7 @@ <h3>Navigation</h3>
 <h1>get_psifile<a class="headerlink" href="#get-psifile" title="Link to this heading">¶</a></h1>
 <dl class="py function">
 <dt class="sig sig-object py" id="psi4.driver.p4util.get_psifile">
-<span class="sig-prename descclassname"><span class="pre">psi4.driver.p4util.</span></span><span class="sig-name descname"><span class="pre">get_psifile</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fileno</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pidspace</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'11138'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/psi4/driver/p4util/procutil.html#get_psifile"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#psi4.driver.p4util.get_psifile" title="Link to this definition">¶</a></dt>
+<span class="sig-prename descclassname"><span class="pre">psi4.driver.p4util.</span></span><span class="sig-name descname"><span class="pre">get_psifile</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fileno</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pidspace</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'11529'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/psi4/driver/p4util/procutil.html#get_psifile"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#psi4.driver.p4util.get_psifile" title="Link to this definition">¶</a></dt>
 <dd><p>Form full path and filename for psi scratch file.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters<span class="colon">:</span></dt>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.get_psifile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html b/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
index d2a4343e6a..c34e6ac082 100644
--- a/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
+++ b/sphinxman/master/api/psi4.driver.p4util.getattr_ignorecase.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.getattr_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.getattr_ignorecase.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html b/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
index 13f8523081..fd7df7a7d6 100644
--- a/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
+++ b/sphinxman/master/api/psi4.driver.p4util.hamiltonian_solver.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hamiltonian_solver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -270,7 +270,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.hamiltonian_solver.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -284,7 +284,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html b/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
index 97bdabee50..6f103dd41a 100644
--- a/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
+++ b/sphinxman/master/api/psi4.driver.p4util.hold_options_state.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script crossorigin="anonymous" integrity="sha256-Ae2Vz/4ePdIu6ZyI/5ZGsYnb+m0JlOmKPjt6XZ9JJkA=" src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.4/require.min.js"></script>
@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.libint2_print_out.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -208,7 +208,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.mat2arr.html b/sphinxman/master/api/psi4.driver.p4util.mat2arr.html
index 81a1c319fa..68b3d2215b 100644
--- a/sphinxman/master/api/psi4.driver.p4util.mat2arr.html
+++ b/sphinxman/master/api/psi4.driver.p4util.mat2arr.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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index 4deed742b2..b5ff45794b 100644
--- a/sphinxman/master/api/psi4.driver.p4util.message_box.html
+++ b/sphinxman/master/api/psi4.driver.p4util.message_box.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.oeprop.html
+++ b/sphinxman/master/api/psi4.driver.p4util.oeprop.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -224,7 +224,7 @@ <h3>Navigation</h3>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5f0ac50f16..9b29d29087 100644
--- a/sphinxman/master/api/psi4.driver.p4util.pcm_helper.html
+++ b/sphinxman/master/api/psi4.driver.p4util.pcm_helper.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3855148fd4..2bead6a818 100644
--- a/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
+++ b/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ae4f13d342..1572ee8fc5 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prefactor_ecd.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prefactor_ecd.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 64a9916aba..39ed21f19e 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html b/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html
index c3247bd270..20d1ea8d93 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bfd9925273..8da382cf01 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_set_options.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_set_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7cfde31e84..588b1ebdef 100644
--- a/sphinxman/master/api/psi4.driver.p4util.provenance_stamp.html
+++ b/sphinxman/master/api/psi4.driver.p4util.provenance_stamp.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 18efec25e5..6ba5a58a56 100644
--- a/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.set_memory.html b/sphinxman/master/api/psi4.driver.p4util.set_memory.html
index c89c0982de..d0cebb2e97 100644
--- a/sphinxman/master/api/psi4.driver.p4util.set_memory.html
+++ b/sphinxman/master/api/psi4.driver.p4util.set_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -258,7 +258,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6e4c5b7623..e347b09d40 100644
--- a/sphinxman/master/api/psi4.driver.p4util.set_module_options.html
+++ b/sphinxman/master/api/psi4.driver.p4util.set_module_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.set_module_options.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.set_options.html b/sphinxman/master/api/psi4.driver.p4util.set_options.html
index 25939dc0e9..9caaaafc0b 100644
--- a/sphinxman/master/api/psi4.driver.p4util.set_options.html
+++ b/sphinxman/master/api/psi4.driver.p4util.set_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 231b1e55c6..2b89f874c2 100644
--- a/sphinxman/master/api/psi4.driver.p4util.spectrum.html
+++ b/sphinxman/master/api/psi4.driver.p4util.spectrum.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -281,7 +281,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7039676230..64e0e793cb 100644
--- a/sphinxman/master/api/psi4.driver.p4util.state_to_atomicinput.html
+++ b/sphinxman/master/api/psi4.driver.p4util.state_to_atomicinput.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.pcm_helper.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.process_input.html
+++ b/sphinxman/master/api/psi4.driver.process_input.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.driver.prop.html
+++ b/sphinxman/master/api/psi4.driver.prop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d00a93a633..f4d3d4b07c 100644
--- a/sphinxman/master/api/psi4.driver.properties.html
+++ b/sphinxman/master/api/psi4.driver.properties.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -332,7 +332,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -248,7 +248,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 277f59519b..6eafa68f93 100644
--- a/sphinxman/master/api/psi4.driver.qcdb.vib.thermo.html
+++ b/sphinxman/master/api/psi4.driver.qcdb.vib.thermo.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.sanitize_method.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.sanitize_name.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/api/psi4.driver.scf_helper.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ee0d085aa8..3b5a38739a 100644
--- a/sphinxman/master/api/psi4.driver.scf_wavefunction_factory.html
+++ b/sphinxman/master/api/psi4.driver.scf_wavefunction_factory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.set_memory.html b/sphinxman/master/api/psi4.driver.set_memory.html
index 5e0f35697f..614ce14eaa 100644
--- a/sphinxman/master/api/psi4.driver.set_memory.html
+++ b/sphinxman/master/api/psi4.driver.set_memory.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.set_memory.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -258,7 +258,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 43ba6b856d..adb0536f22 100644
--- a/sphinxman/master/api/psi4.driver.set_module_options.html
+++ b/sphinxman/master/api/psi4.driver.set_module_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 019225e9d1..1739aadbd7 100644
--- a/sphinxman/master/api/psi4.driver.set_options.html
+++ b/sphinxman/master/api/psi4.driver.set_options.html
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cc3cb90871..573ea75360 100644
--- a/sphinxman/master/api/psi4.driver.tdscf.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.driver.vibanal_wfn.html
+++ b/sphinxman/master/api/psi4.driver.vibanal_wfn.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/appendices.html b/sphinxman/master/appendices.html
index bc091de701..256fb100f0 100644
--- a/sphinxman/master/appendices.html
+++ b/sphinxman/master/appendices.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -348,7 +348,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ac9bc42f3f..f3aeabb78f 100644
--- a/sphinxman/master/autodir_options_c/adc__cutoff_amps_print.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 197583b90f..905c5736b4 100644
--- a/sphinxman/master/autodir_options_c/adc__gauge.html
+++ b/sphinxman/master/autodir_options_c/adc__gauge.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9bc34d64e0..2fdc9c5b59 100644
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+++ b/sphinxman/master/autodir_options_c/ccdensity__reference.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 26cbcb3ba7..1aa47db907 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -197,7 +197,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 158dc74019..de83a9ba01 100644
--- a/sphinxman/master/autodir_options_c/cceom__local_preconditioner.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cceom__local_preconditioner.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cceom__maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 02155cf4ff..eedb6e03d9 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 579a502731..e1ade40653 100644
--- a/sphinxman/master/autodir_options_c/cctransort__ao_basis.html
+++ b/sphinxman/master/autodir_options_c/cctransort__ao_basis.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/cctransort__cachelevel.html
+++ b/sphinxman/master/autodir_options_c/cctransort__cachelevel.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dac784270b..ab4ba8cd7c 100644
--- a/sphinxman/master/autodir_options_c/cctransort__delete_tei.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/cctransort__reference.html
+++ b/sphinxman/master/autodir_options_c/cctransort__reference.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cctransort__reference.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ea60399083..76baf60194 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f491ded967..4d34bc8530 100644
--- a/sphinxman/master/autodir_options_c/cctransort__semicanonical.html
+++ b/sphinxman/master/autodir_options_c/cctransort__semicanonical.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3041549fe8..eebd5cd8e4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/cfour__cfour_dboc.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_dboc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/cfour__cfour_dct.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_dct.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c301c44835..7b343d1e2a 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_diff_type.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 369c4ee195..60693e48f2 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 76947af577..4559a7f6c7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_orbitals.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 95b3c8b8fa..0001a68ae4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/cfour__cfour_scale_on.html b/sphinxman/master/autodir_options_c/cfour__cfour_scale_on.html
index 7a0a733550..8a4062d57b 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_scale_on.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_sd_field.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_sd_field.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4142d3fa03..6719ede365 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_spherical.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_spherical.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_spherical.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_spherical.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1a82dcf725..04c25653f7 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_spin_flip.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_spin_flip.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f1695e38a5..83b597a1e6 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_spin_orbit.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_spin_orbit.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/cfour__cfour_spin_scal.html b/sphinxman/master/autodir_options_c/cfour__cfour_spin_scal.html
index 6f993a7682..cf1c3a0983 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_spin_scal.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_spin_scal.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_spin_scal.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_spin_scal.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/cfour__cfour_spinrotation.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_spinrotation.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_spinrotation.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_spinrotation.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/cfour__cfour_subgroup.html b/sphinxman/master/autodir_options_c/cfour__cfour_subgroup.html
index 3f2b7b0386..7bc559d8a3 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/cfour__cfour_subgroup.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9acacfe30c..2ac0e03d96 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/cphf__print.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f325f5c894..f14933c60f 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9e0f7acfb2..f36441ecf7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 33ec8033e9..f7aa2cabe2 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_fmm_local_lmax.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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--- a/sphinxman/master/autodir_options_c/ddx__ddx_incore.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_incore.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/ddx__ddx_incore.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/ddx__ddx_lmax.html b/sphinxman/master/autodir_options_c/ddx__ddx_lmax.html
index 68dc1fec82..2fdbf93fd2 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/ddx__ddx_lmax.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 754c389724..3323521b75 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_logfile.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_logfile.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/ddx__ddx_logfile.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c3d63a46a7..4908a715d0 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_maxiter.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_maxiter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 72816b9ed3..ff0479a6ff 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_model.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_model.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 22cf5dd66c..c56faa350f 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_n_lebedev.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_n_lebedev.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/ddx__ddx_n_lebedev.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 317be0339c..d95a35e89e 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_radii.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_radii.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/ddx__ddx_radii.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/ddx__ddx_radii.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/ddx__ddx_radii_scaling.html b/sphinxman/master/autodir_options_c/ddx__ddx_radii_scaling.html
index e72891febd..a1cfa364ee 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_radii_scaling.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/ddx__ddx_radii_scaling.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/ddx__ddx_radii_scaling.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6c922e9f20..e3d29822f4 100644
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/detci__cc_fix_external.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e6b9d1c2ec..b97e16f7ad 100644
--- a/sphinxman/master/autodir_options_c/detci__cc_fix_external_min.html
+++ b/sphinxman/master/autodir_options_c/detci__cc_fix_external_min.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 74336df50e..dbb0b78965 100644
--- a/sphinxman/master/autodir_options_c/detci__cc_macro.html
+++ b/sphinxman/master/autodir_options_c/detci__cc_macro.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c3034d9182..15db379ee3 100644
--- a/sphinxman/master/autodir_options_c/detci__cc_mixed.html
+++ b/sphinxman/master/autodir_options_c/detci__cc_mixed.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 9daff4d1bd..cc6fa03eeb 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/detci__cc_ras4_max.html b/sphinxman/master/autodir_options_c/detci__cc_ras4_max.html
index 522198af67..3264f0b3b1 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/detci__wfn.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f97eba430c..e559b02b74 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mo_step_max.html
+++ b/sphinxman/master/autodir_options_c/dfocc__mo_step_max.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5c5262c5a5..21e8cabb6a 100644
--- a/sphinxman/master/autodir_options_c/dfocc__molden_write.html
+++ b/sphinxman/master/autodir_options_c/dfocc__molden_write.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/dfocc__molden_write.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index baf1207fd5..2fd6969d25 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_amp_type.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/dfocc__mp2_os_scale.html b/sphinxman/master/autodir_options_c/dfocc__mp2_os_scale.html
index b9c549a6dd..c975b8de68 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_os_scale.html
+++ b/sphinxman/master/autodir_options_c/dfocc__mp2_os_scale.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale.html b/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale.html
index 1a9e0d8b38..518af00700 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale.html
+++ b/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale2.html b/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale2.html
index 9aa911e466..2c1d02859e 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_sos_scale2.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/dfocc__mp2_ss_scale.html b/sphinxman/master/autodir_options_c/dfocc__mp2_ss_scale.html
index df1b272205..c21496dc2c 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_ss_scale.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 78cebd62b7..e6e464d386 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/dlpno__t_cut_mkn.html b/sphinxman/master/autodir_options_c/dlpno__t_cut_mkn.html
index afad7d4f5b..b5f00c3ad2 100644
--- a/sphinxman/master/autodir_options_c/dlpno__t_cut_mkn.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 56b42334c8..e6dda1947c 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 091e2b493d..bcef071ee3 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 95f73a01b7..7143e346a0 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1600ff7865..d68d7eb6a2 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8f1390616f..092f641281 100644
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+++ b/sphinxman/master/autodir_options_c/dmrg__dmrg_excitation.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 00c985ccde..f8c311c097 100644
--- a/sphinxman/master/autodir_options_c/dmrg__dmrg_local_init.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c23ed3637d..4b8f01eea0 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/dmrg__dmrg_mps_write.html b/sphinxman/master/autodir_options_c/dmrg__dmrg_mps_write.html
index 95391f0453..9206fc91cd 100644
--- a/sphinxman/master/autodir_options_c/dmrg__dmrg_mps_write.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/efp__efp_ind.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0dd7ba7041..8f615dc29a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 001110821e..98b45c8f10 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 4c36b2de5f..0b7051dfd5 100644
--- a/sphinxman/master/autodir_options_c/efp__print.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 855f079de7..e2a308fc8b 100644
--- a/sphinxman/master/autodir_options_c/fisapt__local_maxiter.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8f40fd6512..399eff3272 100644
--- a/sphinxman/master/autodir_options_c/fisapt__local_use_ghosts.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/fisapt__minao_basis.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c9fbcc893e..02cb86fe16 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__brueckner_maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__brueckner_maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1cecffaab1..f0100b73ea 100644
--- a/sphinxman/master/autodir_options_c/fnocc__cc_scale_os.html
+++ b/sphinxman/master/autodir_options_c/fnocc__cc_scale_os.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cc_scale_os.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cc_scale_os.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/autodir_options_c/fnocc__cc_scale_ss.html b/sphinxman/master/autodir_options_c/fnocc__cc_scale_ss.html
index a4d5d5f0f0..95e8c63d76 100644
--- a/sphinxman/master/autodir_options_c/fnocc__cc_scale_ss.html
+++ b/sphinxman/master/autodir_options_c/fnocc__cc_scale_ss.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cc_scale_ss.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/fnocc__cc_timings.html b/sphinxman/master/autodir_options_c/fnocc__cc_timings.html
index 5ab96c11e4..2ff3bc2b49 100644
--- a/sphinxman/master/autodir_options_c/fnocc__cc_timings.html
+++ b/sphinxman/master/autodir_options_c/fnocc__cc_timings.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cc_timings.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cc_timings.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/fnocc__cepa_level.html b/sphinxman/master/autodir_options_c/fnocc__cepa_level.html
index 0821e386f3..b4b0b4bcda 100644
--- a/sphinxman/master/autodir_options_c/fnocc__cepa_level.html
+++ b/sphinxman/master/autodir_options_c/fnocc__cepa_level.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cepa_level.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cepa_level.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/fnocc__cepa_no_singles.html b/sphinxman/master/autodir_options_c/fnocc__cepa_no_singles.html
index 09946628cf..70b299cf01 100644
--- a/sphinxman/master/autodir_options_c/fnocc__cepa_no_singles.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cepa_no_singles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cepa_no_singles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/fnocc__cholesky_tolerance.html b/sphinxman/master/autodir_options_c/fnocc__cholesky_tolerance.html
index 29bc0d47b8..e7c1b2cee5 100644
--- a/sphinxman/master/autodir_options_c/fnocc__cholesky_tolerance.html
+++ b/sphinxman/master/autodir_options_c/fnocc__cholesky_tolerance.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/fnocc__cholesky_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/mcscf__diis.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index be147420e0..8d95e4455b 100644
--- a/sphinxman/master/autodir_options_c/mcscf__force_twocon.html
+++ b/sphinxman/master/autodir_options_c/mcscf__force_twocon.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/mcscf__force_twocon.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ed0e707b50..7dc9145872 100644
--- a/sphinxman/master/autodir_options_c/mcscf__internal_rotations.html
+++ b/sphinxman/master/autodir_options_c/mcscf__internal_rotations.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/mcscf__maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/mcscf__mo_read.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b91e7002ca..0167b0d758 100644
--- a/sphinxman/master/autodir_options_c/mcscf__reference.html
+++ b/sphinxman/master/autodir_options_c/mcscf__reference.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/mcscf__reference.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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index d816fcff72..186441543c 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7b94a680ac..893c6e1164 100644
--- a/sphinxman/master/autodir_options_c/mcscf__turn_on_actv.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -197,7 +197,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -335,7 +335,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -416,7 +416,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -642,7 +642,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -357,7 +357,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -612,7 +612,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -472,7 +472,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -1546,7 +1546,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -289,7 +289,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -374,7 +374,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -492,7 +492,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3d2adecff5..ee40c4248a 100644
--- a/sphinxman/master/autodir_options_c/occ__cepa_ss_scale.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/occ__cepa_type.html
+++ b/sphinxman/master/autodir_options_c/occ__cepa_type.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/occ__cutoff.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index fa8a521c3e..2dd1227c6e 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b5a3cfa8eb..e2f8fe7f0d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/occ__diis_min_vecs.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 43cbf882f7..3c7e193a19 100644
--- a/sphinxman/master/autodir_options_c/occ__do_diis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 478651a4ed..a04b1a99a4 100644
--- a/sphinxman/master/autodir_options_c/occ__mp2_os_scale.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a6fe0c1fde..31a282f6ce 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6d0a8c6eae..f7f4c6603d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/occ__mp2_ss_scale.html
+++ b/sphinxman/master/autodir_options_c/occ__mp2_ss_scale.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index bae93d0df5..99ab722c84 100644
--- a/sphinxman/master/autodir_options_c/occ__nat_orbs.html
+++ b/sphinxman/master/autodir_options_c/occ__nat_orbs.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 24a10f267d..c2361172d9 100644
--- a/sphinxman/master/autodir_options_c/occ__occ_orbs_print.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index a7c99d66df..5c8ef22417 100644
--- a/sphinxman/master/autodir_options_c/occ__oeprop.html
+++ b/sphinxman/master/autodir_options_c/occ__oeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/occ__wfn_type.html b/sphinxman/master/autodir_options_c/occ__wfn_type.html
index e1b946d398..e8089d5787 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5dd6469cb9..6bb7fd0bcb 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/psimrcc__heff4.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d9c5e570c7..5246895d88 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c7cb57e94f..0066d5a540 100644
--- a/sphinxman/master/autodir_options_c/sapt__basis.html
+++ b/sphinxman/master/autodir_options_c/sapt__basis.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__denominator_delta.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 34c8efd283..0f7500b0a4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cd258affeb..6453c7a8d2 100644
--- a/sphinxman/master/autodir_options_c/sapt__df_basis_sapt.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b44db4e5b5..2e5b81745c 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index cd80517d27..055c15a4e3 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__do_disp_exch_sinf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 33b4a119e1..e3a63b4b5b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__do_ind30_exch_sinf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__do_ind30_exch_sinf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e56689387b..fabf1a1e47 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__do_ind_exch_sinf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 75eef862ec..dfaeaba172 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 35eca0b15a..3c5b0b75b0 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__basis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__cosx_basis_tolerance.html b/sphinxman/master/autodir_options_c/scf__cosx_basis_tolerance.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__cosx_density_tolerance.html b/sphinxman/master/autodir_options_c/scf__cosx_density_tolerance.html
index 02922d362f..8e93fe125b 100644
--- a/sphinxman/master/autodir_options_c/scf__cosx_density_tolerance.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 793747f3c5..dd6d3c421a 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__df_ints_io.html b/sphinxman/master/autodir_options_c/scf__df_ints_io.html
index bdf1a83ff2..a1f5867beb 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 17e3793641..e9c28f8c51 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_max_points.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_block_max_points.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c425c675a8..fd0b8ffb2d 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_max_radius.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 8e4d8cb2fe..e395ef495b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index cc49cd2f32..cf7102bec6 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_block_scheme.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 4cedbed965..f9addae49a 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_bs_radius_alpha.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_bs_radius_alpha.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__dft_bs_radius_alpha.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html b/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html
index 8bb2501daa..823efe91e1 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html
+++ b/sphinxman/master/autodir_options_c/scf__dft_density_tolerance.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 66589b15c3..63f3c12df5 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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index 1c24cc46ad..fbc13187b3 100644
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__dft_pruning_scheme.html b/sphinxman/master/autodir_options_c/scf__dft_pruning_scheme.html
index 6c9b9950da..bc43e31218 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d79fc5015f..99fc963905 100644
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bdde91da96..f6c2dcb10a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 81d8bccbbd..819d88302c 100644
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/scf__guess_mix.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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--- a/sphinxman/master/autodir_options_c/scf__guess_persist.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__incfock.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/scf__level_shift.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__level_shift_cutoff.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__level_shift_cutoff.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 84a0eed667..88e641117e 100644
--- a/sphinxman/master/autodir_options_c/scf__link_ints_tolerance.html
+++ b/sphinxman/master/autodir_options_c/scf__link_ints_tolerance.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__link_ints_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__link_ints_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3dc393f557..6499b5a71b 100644
--- a/sphinxman/master/autodir_options_c/scf__local_convergence.html
+++ b/sphinxman/master/autodir_options_c/scf__local_convergence.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__local_convergence.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__local_convergence.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__local_maxiter.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__local_maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 9441dad4b8..1fea0634bb 100644
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+++ b/sphinxman/master/autodir_options_c/scf__max_attempts.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__max_attempts.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__max_attempts.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__max_mem_buf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__max_mem_buf.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__maxiter.html b/sphinxman/master/autodir_options_c/scf__maxiter.html
index 118c21fa92..722e6a2b40 100644
--- a/sphinxman/master/autodir_options_c/scf__maxiter.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__maxiter.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodir_options_c/scf__mom_vir.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/scf__nl_dispersion_parameters.html
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 968203a03a..3f0e4b574a 100644
--- a/sphinxman/master/autodir_options_c/scf__radius.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 87789ba371..4c700fabfa 100644
--- a/sphinxman/master/autodir_options_c/scf__reference.html
+++ b/sphinxman/master/autodir_options_c/scf__reference.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a05eaebe91..8370f098fe 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 85ba3c6dfe..231b6db416 100644
--- a/sphinxman/master/autodir_options_c/scf__s_orthogonalization.html
+++ b/sphinxman/master/autodir_options_c/scf__s_orthogonalization.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__s_orthogonalization.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__s_orthogonalization.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__s_tolerance.html b/sphinxman/master/autodir_options_c/scf__s_tolerance.html
index 810fc25a8b..64da57e2ad 100644
--- a/sphinxman/master/autodir_options_c/scf__s_tolerance.html
+++ b/sphinxman/master/autodir_options_c/scf__s_tolerance.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__s_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__sad_chol_tolerance.html b/sphinxman/master/autodir_options_c/scf__sad_chol_tolerance.html
index 764cf55539..f434846716 100644
--- a/sphinxman/master/autodir_options_c/scf__sad_chol_tolerance.html
+++ b/sphinxman/master/autodir_options_c/scf__sad_chol_tolerance.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7720573f08..087990e9ee 100644
--- a/sphinxman/master/autodir_options_c/scf__sad_spin_average.html
+++ b/sphinxman/master/autodir_options_c/scf__sad_spin_average.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7cbd13a8b1..2f4066763a 100644
--- a/sphinxman/master/autodir_options_c/scf__sapgau_basis.html
+++ b/sphinxman/master/autodir_options_c/scf__sapgau_basis.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4409d68618..4e1c1f0339 100644
--- a/sphinxman/master/autodir_options_c/scf__sapt.html
+++ b/sphinxman/master/autodir_options_c/scf__sapt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 72f126d57f..5cb76d434e 100644
--- a/sphinxman/master/autodir_options_c/scf__save_jk.html
+++ b/sphinxman/master/autodir_options_c/scf__save_jk.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 8b29012b4f..af81c9bcfc 100644
--- a/sphinxman/master/autodir_options_c/scf__scf_initial_accelerator.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__scf_initial_finish_diis_transition.html b/sphinxman/master/autodir_options_c/scf__scf_initial_finish_diis_transition.html
index 499d932ba7..1b4b49c158 100644
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+++ b/sphinxman/master/autodir_options_c/scf__scf_initial_finish_diis_transition.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ae0e368b94..214d487e18 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__scf_initial_start_diis_transition.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f78407f0d4..c46834fb3a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__scf_subtype.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_basis_tolerance.html b/sphinxman/master/autodir_options_c/scf__snlink_basis_tolerance.html
index 4ec19331b4..ec85afe449 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_basis_tolerance.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_basis_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_basis_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_density_tolerance.html b/sphinxman/master/autodir_options_c/scf__snlink_density_tolerance.html
index af9fad892e..da5fbf87b6 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_density_tolerance.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_density_tolerance.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 99d3afbf0a..192eb02dc3 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_load_balancer_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 23e982c3bd..5f1520bf11 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_lwd_kernel.html
+++ b/sphinxman/master/autodir_options_c/scf__snlink_lwd_kernel.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_lwd_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_lwd_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index da0c289811..b13b913019 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_mol_weights_kernel.html
+++ b/sphinxman/master/autodir_options_c/scf__snlink_mol_weights_kernel.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_mol_weights_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_mol_weights_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/autodir_options_c/scf__snlink_pruning_scheme.html b/sphinxman/master/autodir_options_c/scf__snlink_pruning_scheme.html
index a0b620bd02..252828684f 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_pruning_scheme.html
+++ b/sphinxman/master/autodir_options_c/scf__snlink_pruning_scheme.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_pruning_scheme.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_pruning_scheme.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_radial_points.html b/sphinxman/master/autodir_options_c/scf__snlink_radial_points.html
index f6690e234d..673b9662b0 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_radial_points.html
+++ b/sphinxman/master/autodir_options_c/scf__snlink_radial_points.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_radial_points.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_radial_points.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_radial_scheme.html b/sphinxman/master/autodir_options_c/scf__snlink_radial_scheme.html
index 648a1de4fd..209eeb70ee 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_radial_scheme.html
+++ b/sphinxman/master/autodir_options_c/scf__snlink_radial_scheme.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_radial_scheme.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_radial_scheme.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_reduction_kernel.html b/sphinxman/master/autodir_options_c/scf__snlink_reduction_kernel.html
index 2c95cdd4aa..0c8d508363 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_reduction_kernel.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_reduction_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodir_options_c/scf__snlink_reduction_kernel.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__snlink_spherical_points.html b/sphinxman/master/autodir_options_c/scf__snlink_spherical_points.html
index 572ae5cb0b..e76d6294da 100644
--- a/sphinxman/master/autodir_options_c/scf__snlink_spherical_points.html
+++ b/sphinxman/master/autodir_options_c/scf__snlink_spherical_points.html
@@ -47,7 +47,7 @@
     <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/font-awesome/4.4.0/css/font-awesome.min.css" type="text/css" />
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__solver_n_root.html b/sphinxman/master/autodir_options_c/scf__solver_n_root.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 306ea7e909..9475099730 100644
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 2b113e41e0..99dad139ee 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 05be683c6b..c8ee00fe10 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b0e7b4f451..172d41827e 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -330,7 +330,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -212,7 +212,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -321,7 +321,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -211,7 +211,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -261,7 +261,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="../_static/documentation_options.js?v=12306456"></script>
+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -195,7 +195,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -258,7 +258,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+    <script src="../_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -886,7 +886,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -187,7 +187,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -202,7 +202,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodoc_basissets_byfamily.html
+++ b/sphinxman/master/autodoc_basissets_byfamily.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -2225,7 +2225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7cfd0d684f..70e69510b2 100644
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -6002,7 +6002,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -6017,7 +6017,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -854,7 +854,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -869,7 +869,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/autodoc_dft_disp.html b/sphinxman/master/autodoc_dft_disp.html
index ae1830ebe0..25a3a3adfb 100644
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -3605,7 +3605,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -2161,7 +2161,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -1550,7 +1550,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -1565,7 +1565,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -3806,7 +3806,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -3821,7 +3821,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index db900198af..6af942742a 100644
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -953,7 +953,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -2129,7 +2129,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/autodoc_dft_opt.html b/sphinxman/master/autodoc_dft_opt.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1315,7 +1315,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -7811,7 +7811,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/autodoc_options_c_bymodule.html
+++ b/sphinxman/master/autodoc_options_c_bymodule.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodoc_physconst.html b/sphinxman/master/autodoc_physconst.html
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--- a/sphinxman/master/autodoc_physconst.html
+++ b/sphinxman/master/autodoc_physconst.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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diff --git a/sphinxman/master/autodoc_testsuite_cookbook.html b/sphinxman/master/autodoc_testsuite_cookbook.html
index e21106de26..d6ef69cc3b 100644
--- a/sphinxman/master/autodoc_testsuite_cookbook.html
+++ b/sphinxman/master/autodoc_testsuite_cookbook.html
@@ -47,7 +47,7 @@
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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diff --git a/sphinxman/master/autodoc_testsuite_corepsi4.html b/sphinxman/master/autodoc_testsuite_corepsi4.html
index 15e3743100..daf218a12e 100644
--- a/sphinxman/master/autodoc_testsuite_corepsi4.html
+++ b/sphinxman/master/autodoc_testsuite_corepsi4.html
@@ -47,7 +47,7 @@
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -881,742 +881,745 @@ <h3>Navigation</h3>
 <tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ci-multi/input.dat">ci-multi</a></p></td>
 <td><p>BH single points, checking that program can run multiple instances of  DETCI in a single input, without an intervening clean() call</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-freq2/input.dat">dfmp2-freq2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern5/input.dat">extern5</a></p></td>
+<td><p>External potential sanity check with 0 charge far away Checks if all units behave the same and energy is same as no potential</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-freq2/input.dat">dfmp2-freq2</a></p></td>
 <td><p>DF-MP2 frequency by difference of energies for H2O</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-custom-hybrid/input.dat">dft-custom-hybrid</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-custom-hybrid/input.dat">dft-custom-hybrid</a></p></td>
 <td><p>DFT (hybrids) test of implementations in: hybrid_superfuncs.py</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints4/input.dat">mints4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints4/input.dat">mints4</a></p></td>
 <td><p>A demonstration of mixed Cartesian/ZMatrix geometry specification, using variables, for the benzene-hydronium complex.  Atoms can be placed using ZMatrix coordinates, whether they belong to the same fragment or not.  Note that the Cartesian specification must come before the ZMatrix entries because the former define absolute positions, while the latter are relative.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints15/input.dat">mints15</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints15/input.dat">mints15</a></p></td>
 <td><p>check SP basis Fortran exponent parsing</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-cuhf/input.dat">scf-level-shift-cuhf</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-cuhf/input.dat">scf-level-shift-cuhf</a></p></td>
 <td><p>SCF level shift on a CUHF computation</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-3/input.dat">omp2-3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-3/input.dat">omp2-3</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability1/input.dat">stability1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability1/input.dat">stability1</a></p></td>
 <td><p>UHF-&gt;UHF stability analysis test for BH with cc-pVDZ Test direct SCF with and without symmetry, test PK without symmetry</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/explicit-am-basis/input.dat">explicit-am-basis</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/explicit-am-basis/input.dat">explicit-am-basis</a></p></td>
 <td><p>Check that basis sets can be input with explicit angular momentum format</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2p5-1/input.dat">dfomp2p5-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2p5-1/input.dat">dfomp2p5-1</a></p></td>
 <td><p>DF-OMP2.5 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt14/input.dat">opt14</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt14/input.dat">opt14</a></p></td>
 <td><p>6-31G(d) optimization of SF4 starting from linear bond angle that is not linear in the optimized structure but is in a  symmetry plane of the molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu2-ch2-energy/input.dat">tu2-ch2-energy</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu2-ch2-energy/input.dat">tu2-ch2-energy</a></p></td>
 <td><p>Sample UHF/6-31G** CH2 computation</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-dft2/input.dat">sapt-dft2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-dft2/input.dat">sapt-dft2</a></p></td>
 <td><p>SAPT(DFT) aug-cc-pVDZ computation for the water dimer interaction energy.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc54/input.dat">cc54</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc54/input.dat">cc54</a></p></td>
 <td><p>CCSD dipole with user-specified basis set</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/oremp-grad2/input.dat">oremp-grad2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/oremp-grad2/input.dat">oremp-grad2</a></p></td>
 <td><p>integral conventional OO-REMP/cc-pVDZ engrad single points for the H2O molecule. single point energies were independently checked using the original wavels code</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct8/input.dat">dct8</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct8/input.dat">dct8</a></p></td>
 <td><p>DCT calculation for the NH3+ radical using the ODC-12 and ODC-13 functionals. This performs both simultaneous and QC update of the orbitals and cumulant using DIIS extrapolation. Four-virtual integrals are first handled in the MO Basis for the first two energy computations. In the next computation ao_basis=disk algorithm is used, where the transformation of integrals for  four-virtual case is avoided.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt-full-hess-every/input.dat">opt-full-hess-every</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt-full-hess-every/input.dat">opt-full-hess-every</a></p></td>
 <td><p>SCF/sto-3g optimization with a hessian every step</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt9/input.dat">opt9</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt9/input.dat">opt9</a></p></td>
 <td><p>Various constrained energy minimizations of HOOH with cc-pvdz RHF. Cartesian-coordinate constrained optimizations of HOOH in internals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-func/input.dat">cbs-xtpl-func</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-func/input.dat">cbs-xtpl-func</a></p></td>
 <td><p>optimization with method defined via cbs</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccd1/input.dat">dfccd1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccd1/input.dat">dfccd1</a></p></td>
 <td><p>DF-CCD cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccdl1/input.dat">dfccdl1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccdl1/input.dat">dfccdl1</a></p></td>
 <td><p>DF-CCDL cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt5/input.dat">sapt5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt5/input.dat">sapt5</a></p></td>
 <td><p>SAPT0 aug-cc-pVTZ computation of the charge transfer energy of the water dimer.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-smoke/input.dat">dft-smoke</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-smoke/input.dat">dft-smoke</a></p></td>
 <td><p>DFT Functional Smoke Test</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cepa1/input.dat">cepa1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cepa1/input.dat">cepa1</a></p></td>
 <td><p>cc-pvdz H2O Test CEPA(1) Energy</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-uhf/input.dat">scf-level-shift-uhf</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-uhf/input.dat">scf-level-shift-uhf</a></p></td>
 <td><p>SCF level shift on a UHF computation</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sad-scf-type/input.dat">sad-scf-type</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sad-scf-type/input.dat">sad-scf-type</a></p></td>
 <td><p>Test SAD SCF guesses on noble gas atom</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-dens-cut/input.dat">dft-dens-cut</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-dens-cut/input.dat">dft-dens-cut</a></p></td>
 <td><p>LibXC density screening test. Tests empty, C-only, X-only and XC superfunctionals. ‘super_mix’ showcases how to use different screening values for X and C parts. SCF will fail or crash (nans) without screening!</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sad1/input.dat">sad1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sad1/input.dat">sad1</a></p></td>
 <td><p>Test of the superposition of atomic densities (SAD) guess, using a highly distorted water geometry with a cc-pVDZ basis set.  This is just a test of the code and the user need only specify guess=sad to the SCF module’s (or global) options in order to use a SAD guess. The test is first performed in C2v symmetry, and then in C1.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad1/input.dat">dct-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad1/input.dat">dct-grad1</a></p></td>
 <td><p>Various DCT analytic gradients for the O2 molecule with 6-31G basis set</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-guess-read3/input.dat">scf-guess-read3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-guess-read3/input.dat">scf-guess-read3</a></p></td>
 <td><p>Test if the the guess read in the same basis converges.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-sp1/input.dat">psimrcc-sp1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-sp1/input.dat">psimrcc-sp1</a></p></td>
 <td><p>Mk-MRCCSD single point. <span class="math notranslate nohighlight">\(^3 \Sigma ^-\)</span> O2 state described using the Ms = 0 component of the triplet.  Uses ROHF triplet orbitals.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc26/input.dat">cc26</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc26/input.dat">cc26</a></p></td>
 <td><p>Single-point gradient, analytic and via finite-differences of 2-1A1 state of H2O with EOM-CCSD</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-dft1/input.dat">sapt-dft1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-dft1/input.dat">sapt-dft1</a></p></td>
 <td><p>SAPT(DFT) aug-cc-pVDZ interaction energy between Ne and Ar atoms.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbody-vmfc-hessian/input.dat">nbody-vmfc-hessian</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbody-vmfc-hessian/input.dat">nbody-vmfc-hessian</a></p></td>
 <td><p>Computation of VMFC-corrected water trimer Hessian (geometry from J. Chem. Theory Comput. 11, 2126-2136 (2015))</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8c/input.dat">cc8c</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8c/input.dat">cc8c</a></p></td>
 <td><p>ROHF-CCSD cc-pVDZ frozen-core energy for the <span class="math notranslate nohighlight">\(^2\Sigma^+\)</span> state of the  CN radical, with Cartesian input.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/rasci-h2o/input.dat">rasci-h2o</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/rasci-h2o/input.dat">rasci-h2o</a></p></td>
 <td><p>RASCI/6-31G** H2O Energy Point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-1/input.dat">omp3-1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-1/input.dat">omp3-1</a></p></td>
 <td><p>OMP3 cc-pVDZ energy for the H2O molecule</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-def2/input.dat">mp2-def2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-def2/input.dat">mp2-def2</a></p></td>
 <td><p>Test case for Binding Energy of C4H5N (Pyrrole) with CO2 using MP2/def2-TZVPP</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdomp2-1/input.dat">cdomp2-1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdomp2-1/input.dat">cdomp2-1</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt5/input.dat">opt5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt5/input.dat">opt5</a></p></td>
 <td><p>6-31G** UHF CH2 3B1 optimization.  Uses a Z-Matrix with dummy atoms, just for demo and testing purposes.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad4/input.dat">dct-grad4</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad4/input.dat">dct-grad4</a></p></td>
 <td><p>Unrestricted DF-DCT ODC-12 gradient for O2 with cc-pVTZ/cc-pVTZ-RI standard/auxiliary basis set</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu5-sapt/input.dat">tu5-sapt</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu5-sapt/input.dat">tu5-sapt</a></p></td>
 <td><p>Example SAPT computation for ethene*ethine (i.e., ethylene*acetylene), test case 16 from the S22 database</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-6/input.dat">tdscf-6</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-6/input.dat">tdscf-6</a></p></td>
 <td><p>td-camb3lyp with DiskDF and method/basis specification</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-grad5/input.dat">dfmp2-grad5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-grad5/input.dat">dfmp2-grad5</a></p></td>
 <td><p>Tests DF-MP2 gradient in the presence of a dipole field</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/castup3/input.dat">castup3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/castup3/input.dat">castup3</a></p></td>
 <td><p>SCF with various combinations of pk/density-fitting, castup/no-castup, and spherical/cartesian settings. Demonstrates that puream setting is getting set by orbital basis for all df/castup parts of calc. Demonstrates that answer doesn’t depend on presence/absence of castup. Demonstrates (by comparison to castup2) that output file doesn’t depend on options (scf_type) being set global or local. This input uses local.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct10/input.dat">dct10</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct10/input.dat">dct10</a></p></td>
 <td><p>The multiple guesses for DCT amplitudes for ODC-12.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-sp-2/input.dat">cisd-sp-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-sp-2/input.dat">cisd-sp-2</a></p></td>
 <td><p>6-31G** H2O Test CISD Energy Point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fnocc4/input.dat">fnocc4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fnocc4/input.dat">fnocc4</a></p></td>
 <td><p>Test FNO-DF-CCSD(T) energy</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/molden2/input.dat">molden2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/molden2/input.dat">molden2</a></p></td>
 <td><p>Test of the superposition of atomic densities (SAD) guess, using a highly distorted water geometry with a cc-pVDZ basis set.  This is just a test of the code and the user need only specify guess=sad to the SCF module’s (or global) options in order to use a SAD guess. The test is first performed in C2v symmetry, and then in C1.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2p5-grad1/input.dat">dfomp2p5-grad1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2p5-grad1/input.dat">dfomp2p5-grad1</a></p></td>
 <td><p>DF-OMP2.5 cc-pVDZ gradients for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern4/input.dat">extern4</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern4/input.dat">extern4</a></p></td>
 <td><p>External potential calculation involving a TIP3P water and a QM water. Gradient on the external charges is compared to gradient on the QM atoms to validate the gradient on the charges.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-4/input.dat">omp2-4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-4/input.dat">omp2-4</a></p></td>
 <td><p>SCS-OMP2 cc-pVDZ geometry optimization for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-3/input.dat">dfmp2-3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-3/input.dat">dfmp2-3</a></p></td>
 <td><p>DF-MP2 cc-pVDZ frozen core gradient of benzene, computed at the DF-SCF cc-pVDZ geometry</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/casscf-semi/input.dat">casscf-semi</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/casscf-semi/input.dat">casscf-semi</a></p></td>
 <td><p>CASSCF/6-31G** energy point. Check energy with frozen core/virtual orbs. after semicanonicalization.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ao-casscf-sp/input.dat">ao-casscf-sp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ao-casscf-sp/input.dat">ao-casscf-sp</a></p></td>
 <td><p>CASSCF/6-31G** energy point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-ccsd_t-2/input.dat">psimrcc-ccsd_t-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-ccsd_t-2/input.dat">psimrcc-ccsd_t-2</a></p></td>
 <td><p>Mk-MRCCSD(T) single point. <span class="math notranslate nohighlight">\(^1A_1\)</span> CH2 state described using the Ms = 0 component of the singlet.  Uses RHF singlet orbitals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd2/input.dat">olccd2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd2/input.dat">olccd2</a></p></td>
 <td><p>OLCCD cc-pVDZ energy with B3LYP initial guess for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-ghost/input.dat">dft-ghost</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-ghost/input.dat">dft-ghost</a></p></td>
 <td><p>DFT Functional Test for Range-Seperated Hybrids and Ghost atoms</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-7/input.dat">tdscf-7</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-7/input.dat">tdscf-7</a></p></td>
 <td><p>TD-HF test variable access</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf3/input.dat">scf3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf3/input.dat">scf3</a></p></td>
 <td><p>File retention, docc, socc, and bond distances specified explicitly.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mbis-5/input.dat">mbis-5</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mbis-5/input.dat">mbis-5</a></p></td>
 <td><p>MBIS calculation on ZnO</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp3-2/input.dat">dfomp3-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp3-2/input.dat">dfomp3-2</a></p></td>
 <td><p>DF-OMP3 cc-pVDZ energy for the H2O+ cation</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext-abc2/input.dat">fsapt-ext-abc2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext-abc2/input.dat">fsapt-ext-abc2</a></p></td>
 <td><p>FSAPT with external charge on dimer</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc12/input.dat">cc12</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc12/input.dat">cc12</a></p></td>
 <td><p>Single point energies of multiple excited states with EOM-CCSD</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-coverage/input.dat">fci-coverage</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-coverage/input.dat">fci-coverage</a></p></td>
 <td><p>6-31G H2O Test for coverage</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-ecp/input.dat">dfmp2-ecp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-ecp/input.dat">dfmp2-ecp</a></p></td>
 <td><p>Ne-Xe dimer MP2 energies with ECP, with electrons correlated then frozen.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad2/input.dat">dft-grad2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad2/input.dat">dft-grad2</a></p></td>
 <td><p>DF-BP86-D2 cc-pVDZ frozen core gradient of S22 HCN updated ref gradient due to new BraggSlater radii</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-uhf-grad-nobeta/input.dat">scf-uhf-grad-nobeta</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-uhf-grad-nobeta/input.dat">scf-uhf-grad-nobeta</a></p></td>
 <td><p>UHF gradient for a one-electron system (no beta electrons).</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc39/input.dat">cc39</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc39/input.dat">cc39</a></p></td>
 <td><p>RHF-CC2-LR/cc-pVDZ dynamic polarizabilities of HOF molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-parser/input.dat">cbs-parser</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-parser/input.dat">cbs-parser</a></p></td>
 <td><p>mtd/basis syntax examples</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-fd-freq2/input.dat">psimrcc-fd-freq2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-fd-freq2/input.dat">psimrcc-fd-freq2</a></p></td>
 <td><p>Mk-MRCCSD frequencies. <span class="math notranslate nohighlight">\(^1A_1\)</span> O$_3` state described using the Ms = 0 component of the singlet.  Uses TCSCF orbitals.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp3-grad1/input.dat">mp3-grad1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp3-grad1/input.dat">mp3-grad1</a></p></td>
 <td><p>MP3 cc-pVDZ gradient for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-grad1/input.dat">mp2-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-grad1/input.dat">mp2-grad1</a></p></td>
 <td><p>MP2 cc-pVDZ gradient for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfrasscf-sp/input.dat">dfrasscf-sp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfrasscf-sp/input.dat">dfrasscf-sp</a></p></td>
 <td><p>6-31G** H2O Test RASSCF Energy Point will default to only singles and doubles in the active space</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc44/input.dat">cc44</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc44/input.dat">cc44</a></p></td>
 <td><p>Test case for some of the PSI4 out-of-core codes.  The code is given only 2.0 MB of memory, which is insufficient to hold either the A1 or B2 blocks of an ovvv quantity in-core, but is sufficient to hold at least two copies of an oovv quantity in-core.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-bfs/input.dat">pywrap-bfs</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-bfs/input.dat">pywrap-bfs</a></p></td>
 <td><p>apply linear fragmentation algorithm to a water cluster</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-vv10/input.dat">dft-vv10</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-vv10/input.dat">dft-vv10</a></p></td>
 <td><p>He Dimer VV10 functional test. notes: DFT_VV10_B/C overwrites the NL_DISPERSION_PARAMETERS tuple updated ‘bench’ reference values for new BraggSlater radii.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-custom/input.dat">dft-custom</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-custom/input.dat">dft-custom</a></p></td>
 <td><p>DFT custom functional test</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-cbs1/input.dat">pywrap-cbs1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-cbs1/input.dat">pywrap-cbs1</a></p></td>
 <td><p>Various basis set extrapolation tests</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-ccsd_t-3/input.dat">psimrcc-ccsd_t-3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-ccsd_t-3/input.dat">psimrcc-ccsd_t-3</a></p></td>
 <td><p>Mk-MRCCSD(T) single point. <span class="math notranslate nohighlight">\(^1A_1\)</span> CH2 state described using the Ms = 0 component of the singlet.  Uses RHF singlet orbitals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-2/input.dat">omp2-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-2/input.dat">omp2-2</a></p></td>
 <td><p>OMP2 cc-pVDZ energy with ROHF initial guess orbitals for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2p5-1/input.dat">omp2p5-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2p5-1/input.dat">omp2p5-1</a></p></td>
 <td><p>OMP2.5 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints1/input.dat">mints1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints1/input.dat">mints1</a></p></td>
 <td><p>Symmetry tests for a range of molecules.  This doesn’t actually compute any energies, but serves as an example of the many ways to specify geometries in Psi4.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/lccd-grad2/input.dat">lccd-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/lccd-grad2/input.dat">lccd-grad2</a></p></td>
 <td><p>LCCD cc-pVDZ gradient for the NO radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc53/input.dat">cc53</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc53/input.dat">cc53</a></p></td>
 <td><p>Matches Table II a-CCSD(T)/cc-pVDZ H2O &#64; 2.5 * Re value from Crawford and Stanton,  IJQC 98, 601-611 (1998).</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-property/input.dat">mp2-property</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-property/input.dat">mp2-property</a></p></td>
 <td><p>MP2 cc-pvDZ properties for Nitrogen oxide</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt3/input.dat">sapt3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt3/input.dat">sapt3</a></p></td>
 <td><p>SAPT2+3(CCD) aug-cc-pVDZ+midbond computation of the water dimer interaction energy,  using the aug-cc-pVDZ-JKFIT DF basis for SCF and aug-cc-pVDZ-RI for SAPT.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-property/input.dat">scf-property</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-property/input.dat">scf-property</a></p></td>
 <td><p>UFH and B3LYP cc-pVQZ properties for the CH2 molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc15/input.dat">cc15</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc15/input.dat">cc15</a></p></td>
 <td><p>RHF-B-CCD(T)/6-31G** H2O single-point energy (fzc, MO-basis <span class="math notranslate nohighlight">\(\langle ab|cd \rangle\)</span>)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-cholesky-basis/input.dat">scf-cholesky-basis</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-cholesky-basis/input.dat">scf-cholesky-basis</a></p></td>
 <td><p>incremental Cholesky filtered SCF</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-ecp/input.dat">sapt-ecp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-ecp/input.dat">sapt-ecp</a></p></td>
 <td><p>sapt0 of charged system in ECP basis set</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/numpy-array-interface/input.dat">numpy-array-interface</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/numpy-array-interface/input.dat">numpy-array-interface</a></p></td>
 <td><p>Numpy interface testing</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdt2/input.dat">dfccsdt2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdt2/input.dat">dfccsdt2</a></p></td>
 <td><p>DF-CCSD(T) cc-pVDZ energy for the NH molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbo/input.dat">nbo</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbo/input.dat">nbo</a></p></td>
 <td><p>Generation of NBO file</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdoremp-energy2/input.dat">cdoremp-energy2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdoremp-energy2/input.dat">cdoremp-energy2</a></p></td>
 <td><p>density fitted OO-REMP/cc-pVDZ engrad single points for the H2O+ molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdl1/input.dat">dfccsdl1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdl1/input.dat">dfccsdl1</a></p></td>
 <td><p>DF-CCSDL cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt6/input.dat">sapt6</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt6/input.dat">sapt6</a></p></td>
 <td><p>checks that all SAPT physical components (elst, exch, indc, disp) and total IE are being computed correctly for SAPT2+3(CCD)dMP2/aug-cc-pvdz and all lesser methods thereof.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt8/input.dat">sapt8</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt8/input.dat">sapt8</a></p></td>
 <td><p>SAPT0(ROHF) open-shell computation of CN - Ne interaction energy First with jun-cc-pVDZ and density fitted integrals with ROHF Then with cc-pVDZ and direct integrals, except for dispersion  that is computed with cc-pVDZ-ri density fitting with ROHF.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc30/input.dat">cc30</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc30/input.dat">cc30</a></p></td>
 <td><p>CCSD/sto-3g optical rotation calculation (length gauge only) at two frequencies on methyloxirane</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt1-fd/input.dat">opt1-fd</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt1-fd/input.dat">opt1-fd</a></p></td>
 <td><p>SCF STO-3G geometry optimzation, with Z-matrix input, by finite-differences</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fcidump/input.dat">fcidump</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fcidump/input.dat">fcidump</a></p></td>
 <td><p>test FCIDUMP functionality for rhf/uhf</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp3-grad2/input.dat">dfomp3-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp3-grad2/input.dat">dfomp3-grad2</a></p></td>
 <td><p>DF-OMP3 cc-pVDZ gradients for the H2O+ cation.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-sf1/input.dat">sapt-sf1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-sf1/input.dat">sapt-sf1</a></p></td>
 <td><p>Tests the Psi4 SF-SAPT code</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability3/input.dat">stability3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability3/input.dat">stability3</a></p></td>
 <td><p>Test LDA stability analysis against QChem.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints-benchmark/input.dat">mints-benchmark</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints-benchmark/input.dat">mints-benchmark</a></p></td>
 <td><p>run some BLAS benchmarks</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp2/input.dat">scf-ecp2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp2/input.dat">scf-ecp2</a></p></td>
 <td><p>Water-Argon complex with ECP present; check of RHF Hessian</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/freq-isotope2/input.dat">freq-isotope2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/freq-isotope2/input.dat">freq-isotope2</a></p></td>
 <td><p>Vibrational and thermo analysis of several water isotopologs. Demonstrates Hessian reuse for different temperatures, pressures, and isotopologs</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-energy-conv/input.dat">cbs-xtpl-energy-conv</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-energy-conv/input.dat">cbs-xtpl-energy-conv</a></p></td>
 <td><p>Extrapolated water energies - conventional integrals version</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/isapt-siao1/input.dat">isapt-siao1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/isapt-siao1/input.dat">isapt-siao1</a></p></td>
 <td><p>This test case shows an example of running the I-SAPT0/jun-cc-pVDZ computation for 2,4-pentanediol (targeting the intramolecular hydrogen bond between the two hydroxyl groups) The SIAO1 link partitioning algorithm is used.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-1/input.dat">omp2-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-1/input.dat">omp2-1</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop-frontier/input.dat">cubeprop-frontier</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop-frontier/input.dat">cubeprop-frontier</a></p></td>
 <td><p>ROHF frontier orbitals of CH2(s) and CH2(t).</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt6/input.dat">opt6</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt6/input.dat">opt6</a></p></td>
 <td><p>Various constrained energy minimizations of HOOH with cc-pvdz RHF Internal-coordinate constraints in internal-coordinate optimizations.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc21/input.dat">cc21</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc21/input.dat">cc21</a></p></td>
 <td><p>ROHF-EOM-CCSD/DZ analytic gradient lowest <span class="math notranslate nohighlight">\(^{2}A_1\)</span> excited state of H2O+ (B1 excitation)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu1-h2o-energy/input.dat">tu1-h2o-energy</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu1-h2o-energy/input.dat">tu1-h2o-energy</a></p></td>
 <td><p>Sample HF/cc-pVDZ H2O computation</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-freq-analytic2/input.dat">dft-freq-analytic2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-freq-analytic2/input.dat">dft-freq-analytic2</a></p></td>
 <td><p>Analytic UKS SVWN frequencies, compared to finite difference values</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-1/input.dat">dfomp2-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-1/input.dat">dfomp2-1</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/oremp-grad1/input.dat">oremp-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/oremp-grad1/input.dat">oremp-grad1</a></p></td>
 <td><p>integral conventional OO-REMP/cc-pVDZ engrad single points for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern3/input.dat">extern3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern3/input.dat">extern3</a></p></td>
 <td><p>External potential calculation with one Ghost atom and one point charge at the same position.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-h2o-fzcv/input.dat">fci-h2o-fzcv</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-h2o-fzcv/input.dat">fci-h2o-fzcv</a></p></td>
 <td><p>6-31G H2O Test FCI Energy Point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-4/input.dat">tdscf-4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-4/input.dat">tdscf-4</a></p></td>
 <td><p>td-wb97x singlet excitation energies of methylene (tda)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt12/input.dat">opt12</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt12/input.dat">opt12</a></p></td>
 <td><p>SCF cc-pVDZ geometry optimzation of ketene, starting from bent structure</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o+-0/input.dat">cisd-h2o+-0</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o+-0/input.dat">cisd-h2o+-0</a></p></td>
 <td><p>6-31G** H2O+ Test CISD Energy Point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/zaptn-nh2/input.dat">zaptn-nh2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/zaptn-nh2/input.dat">zaptn-nh2</a></p></td>
 <td><p>ZAPT(n)/6-31G NH2 Energy Point, with n=2-25</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext-abc-au/input.dat">fsapt-ext-abc-au</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext-abc-au/input.dat">fsapt-ext-abc-au</a></p></td>
 <td><p>analog of fsapt-ext-abc with molecule and external potentials in Bohr</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-align/input.dat">pywrap-align</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-align/input.dat">pywrap-align</a></p></td>
 <td><p>apply linear fragmentation algorithm to a water cluster</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/rasci-ne/input.dat">rasci-ne</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/rasci-ne/input.dat">rasci-ne</a></p></td>
 <td><p>Ne atom RASCI/cc-pVQZ  Example of split-virtual CISD[TQ] from Sherrill and Schaefer, J. Phys. Chem. XXX This uses a “primary” virtual space 3s3p (RAS 2), a “secondary” virtual space 3d4s4p4d4f (RAS 3), and a “tertiary” virtual space consisting of the remaining virtuals.  First, an initial CISD computation is run to get the natural orbitals; this allows a meaningful partitioning of the virtual orbitals into groups of different importance.  Next, the RASCI is run.  The split-virtual CISD[TQ] takes all singles and doubles, and all triples and quadruples with no more than 2 electrons in the secondary virtual subspace (RAS 3).  If any electrons are present in the tertiary virtual subspace (RAS 4), then that excitation is only allowed if it is a single or double.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad-meta/input.dat">dft-grad-meta</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad-meta/input.dat">dft-grad-meta</a></p></td>
 <td><p>meta-GGA gradients of water and ssh molecules reference gradients updated due to new BraggSlater radii</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern2/input.dat">extern2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern2/input.dat">extern2</a></p></td>
 <td><p>External potential calculation involving a TIP3P water and a QM water for DFMP2. Finite different test of the gradient is performed to validate forces.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-grad1/input.dat">olccd-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-grad1/input.dat">olccd-grad1</a></p></td>
 <td><p>OLCCD cc-pVDZ gradient for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-hess2/input.dat">scf-hess2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-hess2/input.dat">scf-hess2</a></p></td>
 <td><p>UHF STO-3G (Cartesian) and cc-pVDZ (spherical) water Hessian test, against Psi3 reference values. This test should match RHF values exactly</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-1/input.dat">tdscf-1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-1/input.dat">tdscf-1</a></p></td>
 <td><p>td-uhf test on triplet states of methylene (rpa)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc28/input.dat">cc28</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc28/input.dat">cc28</a></p></td>
 <td><p>CCSD/cc-pVDZ optical rotation calculation (length gauge only) on Z-mat H2O2</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-h/input.dat">mp2-h</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-h/input.dat">mp2-h</a></p></td>
 <td><p>check that methods can act on single atom</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-fd-freq1/input.dat">psimrcc-fd-freq1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-fd-freq1/input.dat">psimrcc-fd-freq1</a></p></td>
 <td><p>Mk-MRCCSD single point. <span class="math notranslate nohighlight">\(^3 \Sigma ^-\)</span> O2 state described using the Ms = 0 component of the triplet.  Uses ROHF triplet orbitals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/frac/input.dat">frac</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/frac/input.dat">frac</a></p></td>
 <td><p>Carbon/UHF Fractionally-Occupied SCF Test Case</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-tdm-2/input.dat">fci-tdm-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-tdm-2/input.dat">fci-tdm-2</a></p></td>
 <td><p>BH-H2+ FCI/cc-pVDZ Transition Dipole Moment</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints2/input.dat">mints2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints2/input.dat">mints2</a></p></td>
 <td><p>A test of the basis specification.  A benzene atom is defined using a ZMatrix containing dummy atoms and various basis sets are assigned to different atoms.  The symmetry of the molecule is automatically lowered to account for the different basis sets.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o+-2/input.dat">cisd-h2o+-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o+-2/input.dat">cisd-h2o+-2</a></p></td>
 <td><p>6-31G** H2O+ Test CISD Energy Point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt8/input.dat">opt8</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt8/input.dat">opt8</a></p></td>
 <td><p>Various constrained energy minimizations of HOOH with cc-pvdz RHF. Cartesian-coordinate constrained optimizations of HOOH in Cartesians.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/freq-isotope1/input.dat">freq-isotope1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/freq-isotope1/input.dat">freq-isotope1</a></p></td>
 <td><p>Vibrational and thermo analysis of several water isotopologs. Demonstrates Hessian reuse for different temperatures and pressures but not for different isotopologs.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt13/input.dat">opt13</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt13/input.dat">opt13</a></p></td>
 <td><p>B3LYP cc-pVDZ geometry optimzation of phenylacetylene, starting from not quite linear structure updated reference due to new BraggSlater radii</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdomp2-2/input.dat">cdomp2-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdomp2-2/input.dat">cdomp2-2</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the NO molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt10/input.dat">sapt10</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt10/input.dat">sapt10</a></p></td>
 <td><p>usapt example with empty beta due to frozen core</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad-lr3/input.dat">dft-grad-lr3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad-lr3/input.dat">dft-grad-lr3</a></p></td>
 <td><p>wB97X-D test for a large UKS molecule update ref gradient due to new BraggSlater radii</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints-helper/input.dat">mints-helper</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints-helper/input.dat">mints-helper</a></p></td>
 <td><p>A general test of the MintsHelper function</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-grad1/input.dat">omp2-grad1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-grad1/input.dat">omp2-grad1</a></p></td>
 <td><p>OMP2 cc-pVDZ gradient for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-dipole/input.dat">fci-dipole</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-dipole/input.dat">fci-dipole</a></p></td>
 <td><p>6-31G H2O Test FCI Energy Point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/props2/input.dat">props2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/props2/input.dat">props2</a></p></td>
 <td><p>DF-SCF cc-pVDZ of benzene-hydronium ion, scanning the dissociation coordinate with Python’s built-in loop mechanism. The geometry is specified by a Z-matrix with dummy atoms, fixed parameters, updated parameters, and separate charge/multiplicity specifiers for each monomer. One-electron properties computed for dimer and one monomer.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-tdm/input.dat">fci-tdm</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-tdm/input.dat">fci-tdm</a></p></td>
 <td><p>He2+ FCI/cc-pVDZ Transition Dipole Moment</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints10/input.dat">mints10</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints10/input.dat">mints10</a></p></td>
 <td><p>H2 with tiny basis set, to test basis set parser’s handling of integers</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-reference/input.dat">dft-reference</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-reference/input.dat">dft-reference</a></p></td>
 <td><p>MP2 with a PBE0 reference computation</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints9/input.dat">mints9</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints9/input.dat">mints9</a></p></td>
 <td><p>A test of the basis specification.  Various basis sets are specified outright and in blocks, both orbital and auxiliary. Constructs libmints BasisSet objects through the constructor that calls qcdb.BasisSet infrastructure. Checks that the resulting bases are of the right size and checks that symmetry of the Molecule observes the basis assignment to atoms.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt0-d/input.dat">sapt0-d</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt0-d/input.dat">sapt0-d</a></p></td>
 <td><p>Tests SAPT0-D corrections, with a variety of damping functions/parameters</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o-clpse/input.dat">cisd-h2o-clpse</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o-clpse/input.dat">cisd-h2o-clpse</a></p></td>
 <td><p>6-31G** H2O Test CISD Energy Point with subspace collapse</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbody-nocp-gradient/input.dat">nbody-nocp-gradient</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbody-nocp-gradient/input.dat">nbody-nocp-gradient</a></p></td>
 <td><p>Computation of NoCP-corrected water trimer gradient (geometry from J. Chem. Theory Comput. 11, 2126-2136 (2015))</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-grad2/input.dat">olccd-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-grad2/input.dat">olccd-grad2</a></p></td>
 <td><p>OLCCD cc-pVDZ gradient for the NO radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt1/input.dat">fsapt1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt1/input.dat">fsapt1</a></p></td>
 <td><p>This test case shows an example of running and analyzing a standard F-SAPT0/jun-cc-pvdz procedure for phenol dimer from the S22 database.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt2/input.dat">fsapt2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt2/input.dat">fsapt2</a></p></td>
 <td><p>A very quick correctness test of F-SAPT (see fsapt1 for a real example)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct6/input.dat">dct6</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct6/input.dat">dct6</a></p></td>
 <td><p>DCT calculation for the triplet O2 using DC-06 and DC-12. Only two-step algorithm is tested.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/matrix1/input.dat">matrix1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/matrix1/input.dat">matrix1</a></p></td>
 <td><p>An example of using BLAS and LAPACK calls directly from the Psi input file, demonstrating matrix multiplication, eigendecomposition, Cholesky decomposition and LU decomposition. These operations are performed on vectors and matrices provided from the Psi library.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc1/input.dat">cc1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc1/input.dat">cc1</a></p></td>
 <td><p>RHF-CCSD 6-31G** all-electron optimization of the H2O molecule</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mom-h2o-3/input.dat">mom-h2o-3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mom-h2o-3/input.dat">mom-h2o-3</a></p></td>
 <td><p>MOM excitation from LUMO HOMO+3</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext/input.dat">fsapt-ext</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext/input.dat">fsapt-ext</a></p></td>
 <td><p>Quick test of external potential in F-SAPT (see fsapt1 for a real example)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fisapt-siao1/input.dat">fisapt-siao1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fisapt-siao1/input.dat">fisapt-siao1</a></p></td>
 <td><p>This test case shows an example of running the I-SAPT0/jun-cc-pVDZ computation for 2,4-pentanediol (targeting the intramolecular hydrogen bond between the two hydroxyl groups) The SIAO1 link partitioning algorithm is used. An F-SAPT partitioning follows I-SAPT.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc52/input.dat">cc52</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc52/input.dat">cc52</a></p></td>
 <td><p>CCSD Response for H2O2</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-4/input.dat">dfmp2-4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-4/input.dat">dfmp2-4</a></p></td>
 <td><p>conventional and density-fitting mp2 test of mp2 itself and setting scs-mp2</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdremp-2/input.dat">cdremp-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdremp-2/input.dat">cdremp-2</a></p></td>
 <td><p>Cholesky decomposed REMP/cc-pVDZ energies for the CH3 radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-freq1/input.dat">dfmp2-freq1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-freq1/input.dat">dfmp2-freq1</a></p></td>
 <td><p>DF-MP2 frequency by difference of energies for H2O</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-2/input.dat">omp3-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-2/input.dat">omp3-2</a></p></td>
 <td><p>OMP3 cc-pCVDZ energy with ROHF initial guess for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc27/input.dat">cc27</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc27/input.dat">cc27</a></p></td>
 <td><p>Single point gradient of 1-1B2 state of H2O with EOM-CCSD</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc22/input.dat">cc22</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc22/input.dat">cc22</a></p></td>
 <td><p>ROHF-EOM-CCSD/DZ on the lowest two states of each irrep in <span class="math notranslate nohighlight">\(^{3}B_1\)</span> CH2.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/castup1/input.dat">castup1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/castup1/input.dat">castup1</a></p></td>
 <td><p>Test of SAD/Cast-up (mainly not dying due to file weirdness)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdt1/input.dat">dfccsdt1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdt1/input.dat">dfccsdt1</a></p></td>
 <td><p>DF-CCSD(T) cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-all/input.dat">pywrap-all</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-all/input.dat">pywrap-all</a></p></td>
 <td><p>Intercalls among python wrappers- database, cbs, optimize, energy, etc. Though each call below functions individually, running them all in sequence or mixing up the sequence is aspirational at present. Also aspirational is using the intended types of gradients.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/x2c1/input.dat">x2c1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/x2c1/input.dat">x2c1</a></p></td>
 <td><p>Test of SFX2C-1e on water uncontracted cc-pVDZ-DK The reference numbers are from Lan Cheng’s implementation in Cfour</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc3/input.dat">cc3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc3/input.dat">cc3</a></p></td>
 <td><p>cc3: RHF-CCSD/6-31G** H2O geometry optimization and vibrational frequency analysis by finite-differences of gradients</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ddd-deriv/input.dat">ddd-deriv</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ddd-deriv/input.dat">ddd-deriv</a></p></td>
 <td><p>Sample HF/cc-pVDZ H2O computation all derivatives</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fd-gradient/input.dat">fd-gradient</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fd-gradient/input.dat">fd-gradient</a></p></td>
 <td><p>SCF STO-3G finite-difference tests</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-nbody/input.dat">cbs-xtpl-nbody</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-nbody/input.dat">cbs-xtpl-nbody</a></p></td>
 <td><p>RHF interaction energies using nbody and cbs parts of the driver Ne dimer with mp2/v[dt]z + d:ccsd(t)/vdz</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-upcast-custom-basis/input.dat">scf-upcast-custom-basis</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-upcast-custom-basis/input.dat">scf-upcast-custom-basis</a></p></td>
 <td><p>test scf castup with custom basis sets</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cepa2/input.dat">cepa2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cepa2/input.dat">cepa2</a></p></td>
 <td><p>cc-pvdz H2O Test ACPF Energy/Properties</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc5/input.dat">cc5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc5/input.dat">cc5</a></p></td>
 <td><p>RHF CCSD(T) cc-pVDZ frozen-core energy of C4NH4 Anion</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-grad3/input.dat">dfomp2-grad3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-grad3/input.dat">dfomp2-grad3</a></p></td>
 <td><p>Tests OMP2 gradient in the presence of a dipole field</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc-module/input.dat">cc-module</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc-module/input.dat">cc-module</a></p></td>
 <td><p>check that CC is returning the same values btwn CC*, FNOCC, and DFOCC modules</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsd-grad2/input.dat">dfccsd-grad2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsd-grad2/input.dat">dfccsd-grad2</a></p></td>
 <td><p>DF-CCSD cc-pVDZ gradient for the NH molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt16/input.dat">opt16</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt16/input.dat">opt16</a></p></td>
 <td><p>SCF 6-31G(d) optimization of TS for HCN to HNC Performs finite difference hessian calculation. Then optimizes using previous orbitals for scf guess, in subsequent calculations. The last two displacements of the hessian break the plane of symemtry, This test confirms that only the reference geometry, with the correct symmetry, writes orbitals to disk. SCF will fail (ValidationError) otherwise.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp/input.dat">scf-ecp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp/input.dat">scf-ecp</a></p></td>
 <td><p>Water-Argon complex with ECP present; check of energies and forces.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2p5-grad2/input.dat">omp2p5-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2p5-grad2/input.dat">omp2p5-grad2</a></p></td>
 <td><p>OMP2.5 cc-pVDZ gradient for the NO radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-terms/input.dat">fsapt-terms</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-terms/input.dat">fsapt-terms</a></p></td>
 <td><p>F-SAPT0/jun-cc-pvdz procedure for methane dimer</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd1/input.dat">olccd1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd1/input.dat">olccd1</a></p></td>
 <td><p>OLCCD cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-grad1/input.dat">dfomp2-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-grad1/input.dat">dfomp2-grad1</a></p></td>
 <td><p>DF-OMP2 cc-pVDZ gradients for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfcasscf-sa-sp/input.dat">dfcasscf-sa-sp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfcasscf-sa-sp/input.dat">dfcasscf-sa-sp</a></p></td>
 <td><p>Example of state-averaged CASSCF for the C2 molecule</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-alpha/input.dat">cbs-xtpl-alpha</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-alpha/input.dat">cbs-xtpl-alpha</a></p></td>
 <td><p>Extrapolated water energies</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dlpnomp2-1/input.dat">dlpnomp2-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dlpnomp2-1/input.dat">dlpnomp2-1</a></p></td>
 <td><p>comparison of DF-MP2 and DLPNO-MP2</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-rks/input.dat">scf-level-shift-rks</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-rks/input.dat">scf-level-shift-rks</a></p></td>
 <td><p>SCF level shift on an RKS computation</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt11/input.dat">opt11</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt11/input.dat">opt11</a></p></td>
 <td><p>Transition-state optimizations of HOOH to both torsional transition states.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-basis/input.dat">pywrap-basis</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-basis/input.dat">pywrap-basis</a></p></td>
 <td><p>SAPT calculation on bimolecular complex where monomers are unspecified so driver auto-fragments it. Basis set and auxiliary basis sets are assigned by atom type.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-jk/input.dat">dft-jk</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-jk/input.dat">dft-jk</a></p></td>
 <td><p>DFT JK on-disk test</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-grad3/input.dat">dfmp2-grad3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-grad3/input.dat">dfmp2-grad3</a></p></td>
 <td><p>DF-MP2 cc-pVDZ gradients for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mpn-bh/input.dat">mpn-bh</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mpn-bh/input.dat">mpn-bh</a></p></td>
 <td><p>MP(n)/aug-cc-pVDZ BH Energy Point, with n=2-19.  Compare against  M. L. Leininger et al., J. Chem. Phys. 112, 9213 (2000)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc45/input.dat">cc45</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc45/input.dat">cc45</a></p></td>
 <td><p>RHF-EOM-CC2/cc-pVDZ lowest two states of each symmetry of H2O.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dforemp-grad2/input.dat">dforemp-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dforemp-grad2/input.dat">dforemp-grad2</a></p></td>
 <td><p>density fitted OO-REMP/cc-pVDZ engrad single points for the H2O+ molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc4/input.dat">cc4</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc4/input.dat">cc4</a></p></td>
 <td><p>RHF-CCSD(T) cc-pVQZ frozen-core energy of the BH molecule, with Cartesian input. After the computation, the checkpoint file is renamed, using the PSIO handler.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-guess/input.dat">scf-guess</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-guess/input.dat">scf-guess</a></p></td>
 <td><p>Test initial SCF guesses on FH and FH+ in cc-pVTZ basis</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf6/input.dat">scf6</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf6/input.dat">scf6</a></p></td>
 <td><p>Tests RHF/ROHF/UHF SCF gradients</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad3/input.dat">dct-grad3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad3/input.dat">dct-grad3</a></p></td>
 <td><p>Restricted DF-DCT ODC-12 gradient for ethylene with cc-pVDZ/cc-pVDZ-RI standard/auxiliary basis set</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-freq1/input.dat">olccd-freq1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-freq1/input.dat">olccd-freq1</a></p></td>
 <td><p>OLCCD cc-pVDZ freqs for C2H2</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8a/input.dat">cc8a</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8a/input.dat">cc8a</a></p></td>
 <td><p>ROHF-CCSD(T) cc-pVDZ frozen-core energy for the <span class="math notranslate nohighlight">\(^2\Sigma^+\)</span> state of the CN radical, with Cartesian input.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc41/input.dat">cc41</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc41/input.dat">cc41</a></p></td>
 <td><p>RHF-CC2-LR/cc-pVDZ optical rotation of H2O2.  gauge = both, omega = (589 355 nm)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp3/input.dat">scf-ecp3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp3/input.dat">scf-ecp3</a></p></td>
 <td><p>Water-Argon complex with ECP present; check of UHF Hessian</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt9/input.dat">sapt9</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt9/input.dat">sapt9</a></p></td>
 <td><p>usapt example with empty beta</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft3/input.dat">dft3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft3/input.dat">dft3</a></p></td>
 <td><p>DFT integral algorithms test, performing w-B97 RKS and UKS computations on water and its cation, using all of the different integral algorithms.  This tests both the ERI and ERF integrals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/decontract/input.dat">decontract</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/decontract/input.dat">decontract</a></p></td>
 <td><p>RHF/cc-pvdz-decontract HCl single-point energy  Testing the in line -decontract option for basis sets</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop-esp/input.dat">cubeprop-esp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop-esp/input.dat">cubeprop-esp</a></p></td>
 <td><p>RHF orbitals and density for water.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-sp/input.dat">cisd-sp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-sp/input.dat">cisd-sp</a></p></td>
 <td><p>6-31G** H2O Test CISD Energy Point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/soscf-dft/input.dat">soscf-dft</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/soscf-dft/input.dat">soscf-dft</a></p></td>
 <td><p>Triple and Singlet Oxygen energy SOSCF, also tests non-symmetric density matrices</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfcasscf-sp/input.dat">dfcasscf-sp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfcasscf-sp/input.dat">dfcasscf-sp</a></p></td>
 <td><p>CASSCF/6-31G** energy point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/density-screen-1/input.dat">density-screen-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/density-screen-1/input.dat">density-screen-1</a></p></td>
 <td><p>RHF Density Matrix based-Integral Screening Test for water</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc29/input.dat">cc29</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc29/input.dat">cc29</a></p></td>
 <td><p>CCSD/cc-pVDZ optical rotation calculation (both gauges) on Cartesian H2O2</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-5/input.dat">omp3-5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-5/input.dat">omp3-5</a></p></td>
 <td><p>SOS-OMP3 cc-pVDZ geometry optimization for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-response2/input.dat">scf-response2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-response2/input.dat">scf-response2</a></p></td>
 <td><p>Compute the dipole polarizability for water with custom basis set.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ao-dfcasscf-sp/input.dat">ao-dfcasscf-sp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ao-dfcasscf-sp/input.dat">ao-dfcasscf-sp</a></p></td>
 <td><p>CASSCF/6-31G** energy point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdremp-1/input.dat">cdremp-1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdremp-1/input.dat">cdremp-1</a></p></td>
 <td><p>Cholesky decomposed REMP/cc-pVDZ energies for the CO2 molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-3/input.dat">omp3-3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-3/input.dat">omp3-3</a></p></td>
 <td><p>OMP3 cc-pCVDZ energy with B3LYP initial guess for the NO radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-grad2/input.dat">omp2-grad2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-grad2/input.dat">omp2-grad2</a></p></td>
 <td><p>OMP2 cc-pVDZ gradient for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc42/input.dat">cc42</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc42/input.dat">cc42</a></p></td>
 <td><p>RHF-CC2-LR/STO-3G optical rotation of (S)-methyloxirane.  gauge = length, omega = (589 355 nm)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct5/input.dat">dct5</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct5/input.dat">dct5</a></p></td>
 <td><p>DC-06 calculation for the O2 molecule (triplet ground state). This performs  geometry optimization using two-step and simultaneous solution of the  response equations for the analytic gradient.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-opt/input.dat">cbs-xtpl-opt</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-opt/input.dat">cbs-xtpl-opt</a></p></td>
 <td><p>Various extrapolated optimization methods for the H2 molecule</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsaptd-terms/input.dat">fsaptd-terms</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsaptd-terms/input.dat">fsaptd-terms</a></p></td>
 <td><p>F-SAPT0/jun-cc-pvdz procedure for methane dimer</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/x2c3/input.dat">x2c3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/x2c3/input.dat">x2c3</a></p></td>
 <td><p>Test of SFX2C-1e on Water uncontracted cc-pVDZ The reference numbers are from Lan Cheng’s implementation in Cfour</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8b/input.dat">cc8b</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8b/input.dat">cc8b</a></p></td>
 <td><p>ROHF-CCSD cc-pVDZ frozen-core energy for the <span class="math notranslate nohighlight">\(^2\Sigma^+\)</span> state of the  CN radical, with Cartesian input.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf2/input.dat">scf2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf2/input.dat">scf2</a></p></td>
 <td><p>RI-SCF cc-pVTZ energy of water, with Z-matrix input and cc-pVTZ-RI auxilliary basis.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ghosts/input.dat">ghosts</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ghosts/input.dat">ghosts</a></p></td>
 <td><p>Density fitted MP2 cc-PVDZ/cc-pVDZ-RI computation of formic acid dimer binding energy using explicit specification of ghost atoms.  This is equivalent to the dfmp2_1 sample but uses both (equivalent) specifications of ghost atoms in a manual counterpoise correction.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc10/input.dat">cc10</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc10/input.dat">cc10</a></p></td>
 <td><p>ROHF-CCSD cc-pVDZ energy for the <span class="math notranslate nohighlight">\(^2\Sigma^+\)</span> state of the CN radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-wrapper/input.dat">cbs-xtpl-wrapper</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-wrapper/input.dat">cbs-xtpl-wrapper</a></p></td>
 <td><p>RHF aug-cc-pVQZ energy for the BH molecule, with Cartesian input. Various gradients for a strained helium dimer and water molecule</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu4-h2o-freq/input.dat">tu4-h2o-freq</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu4-h2o-freq/input.dat">tu4-h2o-freq</a></p></td>
 <td><p>Optimization followed by frequencies H2O HF/cc-pVDZ</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/linK-3/input.dat">linK-3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/linK-3/input.dat">linK-3</a></p></td>
 <td><p>UHF and ROHF Linear Exchange Algorithm test for benzyl cation</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/linK-2/input.dat">linK-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/linK-2/input.dat">linK-2</a></p></td>
 <td><p>RKS Linear Exchange Algorithm test for benzene</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop/input.dat">cubeprop</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop/input.dat">cubeprop</a></p></td>
 <td><p>RHF orbitals and density for water.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/casscf-sp/input.dat">casscf-sp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/casscf-sp/input.dat">casscf-sp</a></p></td>
 <td><p>CASSCF/6-31G** energy point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability2/input.dat">stability2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability2/input.dat">stability2</a></p></td>
 <td><p>ROHF stability analysis check for CN with cc-pVDZ. This test corresponds to the rohf-stab test from Psi3.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/basis-ecp/input.dat">basis-ecp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/basis-ecp/input.dat">basis-ecp</a></p></td>
 <td><p>check mixing ECP and non-ECP orbital/fitting basis sets in a session</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/frac-ip-fitting/input.dat">frac-ip-fitting</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/frac-ip-fitting/input.dat">frac-ip-fitting</a></p></td>
 <td><p>Omega optimization for LRC functional wB97 on water</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu3-h2o-opt/input.dat">tu3-h2o-opt</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu3-h2o-opt/input.dat">tu3-h2o-opt</a></p></td>
 <td><p>Optimize H2O HF/cc-pVDZ</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-2/input.dat">dfmp2-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-2/input.dat">dfmp2-2</a></p></td>
 <td><p>Density fitted MP2 energy of H2, using density fitted reference and automatic looping over cc-pVDZ and cc-pVTZ basis sets. Results are tabulated using the built in table functions by using the default options and by specifiying the format.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfremp-1/input.dat">dfremp-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfremp-1/input.dat">dfremp-1</a></p></td>
 <td><p>density fitted REMP/cc-pVDZ energies for the CO2 molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/aediis-2/input.dat">aediis-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/aediis-2/input.dat">aediis-2</a></p></td>
 <td><p>EDIIS test case from 10.1063/1.1470195</p></td>
 </tr>
 </tbody>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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index f1b904bd7f..bb241ce40c 100644
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4bae87992f..9be43ed4ff 100644
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@@ -47,7 +47,7 @@
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     </div>
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -450,7 +450,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -1949,7 +1949,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d9ea34750d..95afb408e7 100644
--- a/sphinxman/master/capabilities.html
+++ b/sphinxman/master/capabilities.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -1567,7 +1567,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -1028,7 +1028,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -1154,7 +1154,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7de1611d39..c8f70a0bcf 100644
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7815c12171..bffb502385 100644
--- a/sphinxman/master/chemps2.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -655,7 +655,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -665,7 +665,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -487,7 +487,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -545,7 +545,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 146ed26812..99d4fbe9aa 100644
--- a/sphinxman/master/customizing.html
+++ b/sphinxman/master/customizing.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 345b4dbd2a..6e4573a689 100644
--- a/sphinxman/master/db.html
+++ b/sphinxman/master/db.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -1180,7 +1180,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9bb8a0278a..d05c8bcd92 100644
--- a/sphinxman/master/dct.html
+++ b/sphinxman/master/dct.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -519,7 +519,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -533,7 +533,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/ddx.html b/sphinxman/master/ddx.html
index dba5fff3fd..489e19049a 100644
--- a/sphinxman/master/ddx.html
+++ b/sphinxman/master/ddx.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -674,7 +674,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -688,7 +688,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/detci.html b/sphinxman/master/detci.html
index b4cbcbe5c8..908055a396 100644
--- a/sphinxman/master/detci.html
+++ b/sphinxman/master/detci.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -608,7 +608,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -622,7 +622,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/dfmp2.html b/sphinxman/master/dfmp2.html
index 7878e874e0..7310d32b03 100644
--- a/sphinxman/master/dfmp2.html
+++ b/sphinxman/master/dfmp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -529,7 +529,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -543,7 +543,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/dft.html b/sphinxman/master/dft.html
index 32b86b5700..d38d738c22 100644
--- a/sphinxman/master/dft.html
+++ b/sphinxman/master/dft.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1547,7 +1547,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -1561,7 +1561,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c36b0b8f2c..769e28a9ec 100644
--- a/sphinxman/master/dft_byfunctional.html
+++ b/sphinxman/master/dft_byfunctional.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -17790,7 +17790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index fee396ddf6..383ff7336c 100644
--- a/sphinxman/master/dftd3.html
+++ b/sphinxman/master/dftd3.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -958,7 +958,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -972,7 +972,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index eabbd6b395..c38ba44587 100644
--- a/sphinxman/master/dftnl.html
+++ b/sphinxman/master/dftnl.html
@@ -47,7 +47,7 @@
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     <link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Noticia+Text:400,i,b,bi|Open+Sans:400,i,b,bi|Roboto+Mono:400,i,b,bi&amp;display=swap" type="text/css" />
     
-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/diatomic.html b/sphinxman/master/diatomic.html
index b5cf17517f..2a1c0d11c7 100644
--- a/sphinxman/master/diatomic.html
+++ b/sphinxman/master/diatomic.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -232,7 +232,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5363ce248e..456f264ce7 100644
--- a/sphinxman/master/dkh.html
+++ b/sphinxman/master/dkh.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -349,7 +349,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -363,7 +363,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 09a5232989..60d8d8ce5b 100644
--- a/sphinxman/master/dlpnomp2.html
+++ b/sphinxman/master/dlpnomp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -344,7 +344,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -358,7 +358,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/documentation.html b/sphinxman/master/documentation.html
index 0017cdbdef..5fbae8141a 100644
--- a/sphinxman/master/documentation.html
+++ b/sphinxman/master/documentation.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -374,7 +374,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5e50ad3ac3..8ab24909eb 100644
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+++ b/sphinxman/master/ecpint.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -304,7 +304,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/energy.html b/sphinxman/master/energy.html
index ab19285bb1..59eea98831 100644
--- a/sphinxman/master/energy.html
+++ b/sphinxman/master/energy.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -2779,7 +2779,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/external.html b/sphinxman/master/external.html
index 26b1111ce0..c31663a10e 100644
--- a/sphinxman/master/external.html
+++ b/sphinxman/master/external.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -948,7 +948,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/external_apis.html b/sphinxman/master/external_apis.html
index 5717759ebb..4f9b4c61e4 100644
--- a/sphinxman/master/external_apis.html
+++ b/sphinxman/master/external_apis.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -98,7 +98,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -477,7 +477,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -490,7 +490,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f35fe980bb..ed861f5b7c 100644
--- a/sphinxman/master/fchk.html
+++ b/sphinxman/master/fchk.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/fisapt.html b/sphinxman/master/fisapt.html
index b84948cc38..b608907556 100644
--- a/sphinxman/master/fisapt.html
+++ b/sphinxman/master/fisapt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -626,7 +626,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -640,7 +640,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/fnocc.html b/sphinxman/master/fnocc.html
index baab8ab9f2..787a169a8f 100644
--- a/sphinxman/master/fnocc.html
+++ b/sphinxman/master/fnocc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -1316,7 +1316,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -749,7 +749,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -296,7 +296,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -354,7 +354,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b53670b4bd..3eac0aee3e 100644
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+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -437,7 +437,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -10112,7 +10112,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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index c381c4ac5b..24e7c70c9d 100644
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -98,7 +98,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -449,7 +449,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -462,7 +462,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 621352546e..40032d84fd 100644
--- a/sphinxman/master/index_tutorials.html
+++ b/sphinxman/master/index_tutorials.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7f0aa6103a..a2cd0cee22 100644
--- a/sphinxman/master/intercalls.html
+++ b/sphinxman/master/intercalls.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -280,7 +280,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/interfacing.html b/sphinxman/master/interfacing.html
index b69e3c5270..1ed6d32e94 100644
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -361,7 +361,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/introduction.html b/sphinxman/master/introduction.html
index 5eaedd596e..3d17fb6812 100644
--- a/sphinxman/master/introduction.html
+++ b/sphinxman/master/introduction.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2864,7 +2864,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2877,7 +2877,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/libefp.html b/sphinxman/master/libefp.html
index ed00f1a403..bae356894c 100644
--- a/sphinxman/master/libefp.html
+++ b/sphinxman/master/libefp.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -491,7 +491,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -505,7 +505,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/libint.html b/sphinxman/master/libint.html
index d81f3fbda4..0d5ce528c0 100644
--- a/sphinxman/master/libint.html
+++ b/sphinxman/master/libint.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -314,7 +314,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/libxc.html b/sphinxman/master/libxc.html
index b1c79a07ee..a0e1933cd9 100644
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -298,7 +298,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -482,7 +482,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 345b69fe1c..79ff975fd5 100644
--- a/sphinxman/master/manage_git.html
+++ b/sphinxman/master/manage_git.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -538,7 +538,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 74c328b4b5..4a626d41d1 100644
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -866,7 +866,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index a3515f78f3..62724a1e9b 100644
--- a/sphinxman/master/mcscf.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/methods.html b/sphinxman/master/methods.html
index caa81a11c9..87d15c3926 100644
--- a/sphinxman/master/methods.html
+++ b/sphinxman/master/methods.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -400,7 +400,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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@@ -338,7 +338,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -436,7 +436,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -380,7 +380,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
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index 3f7d80816a..7ed2375838 100644
--- a/sphinxman/master/occ.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -1682,7 +1682,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c8601bf12c..cca9caf5a0 100644
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -412,7 +412,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 800fc71675..275b93b07c 100644
--- a/sphinxman/master/opt.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -1577,7 +1577,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9a542077ee..c8244674bd 100644
--- a/sphinxman/master/optionshandling.html
+++ b/sphinxman/master/optionshandling.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -472,7 +472,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4a93f95b32..6858b6f704 100644
--- a/sphinxman/master/optking.html
+++ b/sphinxman/master/optking.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -1146,7 +1146,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0836d2d6b9..852e513718 100644
--- a/sphinxman/master/pcmsolver.html
+++ b/sphinxman/master/pcmsolver.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -411,7 +411,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -425,7 +425,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/pep0001.html b/sphinxman/master/pep0001.html
index 3cbd276cd3..9cf8cec201 100644
--- a/sphinxman/master/pep0001.html
+++ b/sphinxman/master/pep0001.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -278,7 +278,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 56f16839ba..240eb2a1b3 100644
--- a/sphinxman/master/plugin_psi4fockci.html
+++ b/sphinxman/master/plugin_psi4fockci.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ba71c8c665..735fb390b1 100644
--- a/sphinxman/master/plugin_snsmp2.html
+++ b/sphinxman/master/plugin_snsmp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -282,7 +282,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/plugin_v2rdm_casscf.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/plugins.html b/sphinxman/master/plugins.html
index 98666ccc14..fb567ef885 100644
--- a/sphinxman/master/plugins.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -404,7 +404,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/proc_py.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -434,7 +434,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6136f5b703..45d70ed43d 100644
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -610,7 +610,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/prog_conduct.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -189,7 +189,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 654abd2500..6deade83ad 100644
--- a/sphinxman/master/prog_corelibs.html
+++ b/sphinxman/master/prog_corelibs.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 58707d18e0..9745c2b935 100644
--- a/sphinxman/master/prog_debug_profile.html
+++ b/sphinxman/master/prog_debug_profile.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2f329fc72f..b1412353df 100644
--- a/sphinxman/master/prog_faq.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_full_integration.html b/sphinxman/master/prog_full_integration.html
index 34053e0ed4..743a0eba7a 100644
--- a/sphinxman/master/prog_full_integration.html
+++ b/sphinxman/master/prog_full_integration.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 49f80f1359..1fa1a82e96 100644
--- a/sphinxman/master/prog_help.html
+++ b/sphinxman/master/prog_help.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 056d5237b1..d59d0c30db 100644
--- a/sphinxman/master/prog_integrals.html
+++ b/sphinxman/master/prog_integrals.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -666,7 +666,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0dc31f6066..874d1fc202 100644
--- a/sphinxman/master/prog_intro.html
+++ b/sphinxman/master/prog_intro.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 86c4792b4b..7ce7a54f11 100644
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+++ b/sphinxman/master/prog_newcode.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0e98a94d62..0793c270f1 100644
--- a/sphinxman/master/prog_setup.html
+++ b/sphinxman/master/prog_setup.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_style_c.html b/sphinxman/master/prog_style_c.html
index 7dfd416c50..123adbaa4c 100644
--- a/sphinxman/master/prog_style_c.html
+++ b/sphinxman/master/prog_style_c.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -304,7 +304,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prog_style_py.html b/sphinxman/master/prog_style_py.html
index c1ec546108..4620d21875 100644
--- a/sphinxman/master/prog_style_py.html
+++ b/sphinxman/master/prog_style_py.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/prog_tour.html b/sphinxman/master/prog_tour.html
index 73f6b3e04a..ba8636e050 100644
--- a/sphinxman/master/prog_tour.html
+++ b/sphinxman/master/prog_tour.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prog_ways_to_add.html b/sphinxman/master/prog_ways_to_add.html
index d4b72a821f..2bf4c9ca1b 100644
--- a/sphinxman/master/prog_ways_to_add.html
+++ b/sphinxman/master/prog_ways_to_add.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -309,7 +309,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prog_welcome.html b/sphinxman/master/prog_welcome.html
index 7b37638620..94a02e1a3c 100644
--- a/sphinxman/master/prog_welcome.html
+++ b/sphinxman/master/prog_welcome.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/prop.html b/sphinxman/master/prop.html
index 6e021dc9c8..c25a9d1446 100644
--- a/sphinxman/master/prop.html
+++ b/sphinxman/master/prop.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -339,7 +339,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -353,7 +353,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/psi4api.html b/sphinxman/master/psi4api.html
index d8bbb2e6b0..9ff840ccc1 100644
--- a/sphinxman/master/psi4api.html
+++ b/sphinxman/master/psi4api.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1605,7 +1605,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/psiapi.html b/sphinxman/master/psiapi.html
index 992c063379..700130cd8c 100644
--- a/sphinxman/master/psiapi.html
+++ b/sphinxman/master/psiapi.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -103,7 +103,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -571,7 +571,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -585,7 +585,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index dfd45fd325..425899aab3 100644
--- a/sphinxman/master/psimrcc.html
+++ b/sphinxman/master/psimrcc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -353,7 +353,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -367,7 +367,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/psipep.html b/sphinxman/master/psipep.html
index 1e15463055..9bea362880 100644
--- a/sphinxman/master/psipep.html
+++ b/sphinxman/master/psipep.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -193,7 +193,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/psithonfunc.html b/sphinxman/master/psithonfunc.html
index e1cfc45d06..0b2a1ce34a 100644
--- a/sphinxman/master/psithonfunc.html
+++ b/sphinxman/master/psithonfunc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -259,7 +259,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/psithoninput.html
+++ b/sphinxman/master/psithoninput.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -103,7 +103,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/psithonmol.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -914,7 +914,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 534f6f4054..53241873b1 100644
--- a/sphinxman/master/py-modindex.html
+++ b/sphinxman/master/py-modindex.html
@@ -46,7 +46,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/quickaddalias.html
+++ b/sphinxman/master/quickaddalias.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7ff8518847..45612ab46f 100644
--- a/sphinxman/master/relativistic.html
+++ b/sphinxman/master/relativistic.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
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@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/sapt.html
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-    <script src="_static/documentation_options.js?v=12306456"></script>
+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 196c223ce0..3fd4e4d6b8 100644
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -1447,7 +1447,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1461,7 +1461,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
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+      Last updated on Wednesday, 05 February 2025 07:28PM.
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+    <script src="_static/documentation_options.js?v=24d765c6"></script>
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@@ -99,7 +99,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2025, The Psi4 Project.
-      Last updated on Tuesday, 28 January 2025 06:08PM.
+      Last updated on Wednesday, 05 February 2025 07:28PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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"CPHF": [[1207, null]], "CPHF_MEM_SAFETY_FACTOR": [[714, null], [1207, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1029, null], [1218, "cphf-r-convergence"], [1230, "cphf-r-convergence"], [1442, null], [1837, "cphf-r-convergence"]], "CPHF_TASKS": [[715, null], [1207, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1108, null], [1221, "cubeprop-basis-functions"], [1750, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1109, null], [1221, "cubeprop-filepath"], [1750, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1110, null], [1221, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1111, null], [1221, "cubeprop-orbitals"], [1750, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1112, null], [1221, "cubeprop-tasks"], [1750, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1030, null], [1113, null], [1218, "cubic-basis-tolerance"], [1221, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": [[1031, null], [1114, null], [1218, "cubic-block-max-points"], [1221, "cubic-block-max-points"]], "CUBIC_GRID_OVERAGE": [[1032, null], [1115, null], [1218, "cubic-grid-overage"], [1221, "cubic-grid-overage"], [1750, "cubic-grid-overage"]], "CUBIC_GRID_SPACING": [[1033, null], [1116, null], [1218, "cubic-grid-spacing"], [1221, "cubic-grid-spacing"], [1750, "cubic-grid-spacing"]], "CUHF": [[14, null]], "CUSTOM_COORDS": [[1226, "custom-coords"], [1304, null]], "CUTOFF": [[918, null], [1213, "cutoff"], [1225, "cutoff"], [1249, null]], "CUTOFF_AMPS_PRINT": [[0, "cutoff-amps-print"], [1, "cutoff-amps-print"], [401, null], [1197, "cutoff-amps-print"]], "Calling compute_shell(int P, int Q)": [[1817, "calling-compute-shell-int-p-int-q"]], "Capabilities": [[1781, "capabilities"]], "Capabilities and Alternate Implementations": [[1739, null]], "Capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>, including details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1739, "id18"]], "CdSalc": [[15, null]], "CdSalcList": [[16, null]], "Cfour for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users": [[1743, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1817, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1837, "charge-transfer-in-sapt"]], "Citing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1781, "citing-psifour"]], "Class Inheritance Diagram": [[1827, "class-inheritance-diagram"], [1827, "id3"], [1827, "id6"]], "Classes": [[1827, "classes"], [1827, "id2"], [1827, "id5"]], "Clone from GitHub Repository": [[1737, "clone-from-github-repository"]], "Code style conventions": [[1747, null]], "Collect documentation snapshot": [[1788, "collect-documentation-snapshot"]], "Collect new authors": [[1788, "collect-new-authors"]], "Command Line Options": [[1767, "command-line-options"]], "Comments": [[1804, "comments"]], "Community Code of Conduct": [[1811, null]], "Comparison Functions": [[2, "comparison-functions"]], "Compiling and Installing from Source": [[1738, null]], "Complete Basis Set": [[1740, null]], "Completely new methods": [[1823, "completely-new-methods"]], "CompositeJK": [[18, null]], "Computations with Mid-bonds": [[1837, "computations-with-mid-bonds"]], "Conda Binary Distribution": [[1748, null]], "Conda Binary Package": [[1737, "conda-binary-package"]], "Configuration Interaction (CI)": [[1781, "configuration-interaction-ci"]], "Configuring and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Binary": [[1736, 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[[266, null]], "Coordinates": [[1833, "coordinates"]], "CorrelationFactor": [[19, null]], "CorrelationTable": [[20, null]], "Coupled Cluster (CC)": [[1781, "coupled-cluster-cc"]], "Coupled electron pair approximation": [[1771, "coupled-electron-pair-approximation"]], "Creating New Plugins": [[1808, null]], "Creating a Database": [[1835, null]], "Creating a New Plugin": [[1808, "creating-a-new-plugin"]], "Creating a New Plugin Using a Conda Pre-compiled Binary": [[1808, "creating-a-new-plugin-using-a-conda-pre-compiled-binary"]], "Cube File Visualization with PyMol": [[1770, "cube-file-visualization-with-pymol"]], "CubeProperties": [[21, null]], "Cubeprop Tasks": [[1750, "cubeprop-tasks"]], "Current coupled cluster capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1742, "id14"]], "Current one-electron property capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: 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"Defining a Method Alias": [[1834, null]], "Density Cumulant Theory (DCT)": [[1781, "density-cumulant-theory-dct"]], "Density Matrices": [[1210, "density-matrices"]], "Density Matrix Renormalization Group (DMRG)": [[1781, "density-matrix-renormalization-group-dmrg"]], "Density Screening": [[1817, "density-screening"]], "Density matrix renormalization group capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> through CheMPS2": [[1746, "id1"]], "Density-fitted coupled cluster": [[1771, "density-fitted-coupled-cluster"]], "Deriv": [[61, null]], "DerivCalcType": [[62, null]], "Derivative Integrals": [[1817, "derivative-integrals"]], "Detailed Installation of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1748, "detailed-installation-of-psifour"]], "Detailed Installation of Miniconda": [[1748, 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for building Psi4": [[1738, "how-to-configure-blas-lapack-for-building-psi4"]], "How to configure C++ and C compilers for building Psi4": [[1738, "how-to-configure-c-and-c-compilers-for-building-psi4"]], "How to configure CPPE for building Psi4": [[1749, "how-to-configure-cppe-for-building-psi4"]], "How to configure CheMPS2 for building Psi4": [[1746, "how-to-configure-chemps2-for-building-psi4"]], "How to configure Fortran compilers for building Psi4": [[1738, "how-to-configure-fortran-compilers-for-building-psi4"]], "How to configure LibECPInt for building Psi4": [[1765, "how-to-configure-libecpint-for-building-psi4"]], "How to configure Libint for building Psi4": [[1783, "how-to-configure-libint-for-building-psi4"]], "How to configure Libxc for building Psi4": [[1784, "how-to-configure-libxc-for-building-psi4"]], "How to configure PCMSolver for building Psi4": [[1803, "how-to-configure-pcmsolver-for-building-psi4"]], "How to configure Python for building Psi4": [[1738, "how-to-configure-python-for-building-psi4"]], "How to configure a Psi4 build on Cray": [[1738, "how-to-configure-a-psi4-build-on-cray"]], "How to configure adcc for building Psi4": [[1, "how-to-configure-adcc-for-building-psi4"]], "How to configure code to use high angular momentum basis sets": [[1738, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to configure ddx for building Psi4": [[1754, "how-to-configure-ddx-for-building-psi4"]], "How to configure dkh for building Psi4": [[1762, "how-to-configure-dkh-for-building-psi4"]], "How to configure gau2gridfor building Psi4": [[1773, "how-to-configure-gau2gridfor-building-psi4"]], "How to configure gdma for building Psi4": [[1775, "how-to-configure-gdma-for-building-psi4"]], "How to configure libefp for building Psi4": [[1782, "how-to-configure-libefp-for-building-psi4"]], "How to configure paths for PsiAPI": [[1738, "how-to-configure-paths-for-psiapi"]], "How to configure simint for building Psi4": [[1839, "how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1786, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1786, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1786, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1738, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1786, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1786, "how-to-fix-cannot-import-name-core-from-top-level-psi4-dir"]], "How to fix \u201cplugin needed to handle lto object\u201d when building CheMPS2": [[1746, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1738, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1738, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1738, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1738, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1738, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1747, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1747, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1748, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1748, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1748, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1738, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1785, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1786, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1785, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1810, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1810, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1810, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1738, "how-to-obtain-c-and-c-compilers-for-mac-without-fink-macports-or-homebrew"]], "How to obtain Psi4: start with find-the-code quiz, end in {top-level-psi4-dir}": [[1737, "how-to-obtain-psi4-start-with-find-the-code-quiz-end-in-top-level-psi4-dir"]], "How to obtain a Fortran compiler for Mac without Fink, MacPorts, or Homebrew": [[1738, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1738, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1738, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1738, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1738, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1738, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1738, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1738, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1747, "how-to-run-code-style-tools-clang-format-and-yapf-manually"]], "How to satisfy the GCC >= 4.9 requirement on Linux without updating the OS": [[1738, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1738, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1738, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1738, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1738, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1738, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1738, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1738, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1748, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1738, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1738, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1738, "how-to-use-a-local-add-on-repository-in-the-psi4-build"]], "How to use an Add-On\u2019s name in directory structure, build, and distribution": [[1785, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1748, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1738, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1738, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1738, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1810, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1758, "hybrid"]], "Hybrid functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1700, null], [1758, "id5"]], "I-SAPT: A Representative Example": [[1770, "i-sapt-a-representative-example"]], "I. Basic Input Structure": [[1828, "I.-Basic-Input-Structure"]], "ICORE": [[837, null], [1210, "icore"], [1755, "icore"]], "IDAMAX": [[85, null]], "II. Running a Basic Hartree-Fock Calculation": [[1828, "II.-Running-a-Basic-Hartree-Fock-Calculation"]], "III. Geometry Optimization and Vibrational Frequency Analysis": [[1828, "III.-Geometry-Optimization-and-Vibrational-Frequency-Analysis"]], "INCFOCK": [[1231, "incfock"], [1566, null]], "INCFOCK_CONVERGENCE": [[1231, "incfock-convergence"], [1567, null]], "INCFOCK_FULL_FOCK_EVERY": [[1231, "incfock-full-fock-every"], [1568, null]], "INDUCED_CONVERGENCE": [[1228, "induced-convergence"], [1389, null], [1749, "induced-convergence"]], "INTCOS_GENERATE_EXIT": [[1226, "intcos-generate-exit"], [1334, null]], "INTEGRAL_CUTOFF": [[927, null], [1213, "integral-cutoff"]], "INTEGRAL_PACKAGE": [[1129, null], [1221, "integral-package"]], "INTERFRAGMENT_CONNECT": [[1226, "interfragment-connect"], [1341, null]], "INTERFRAG_COLLINEAR_TOL": [[1226, "interfrag-collinear-tol"], [1335, null]], "INTERFRAG_COORDS": [[1226, "interfrag-coords"], [1336, null]], "INTERFRAG_DIST_INV": [[1226, "interfrag-dist-inv"], [1337, null]], "INTERFRAG_HESS": [[1226, "interfrag-hess"], [1338, null]], "INTERFRAG_MODE": [[1226, "interfrag-mode"], [1339, null]], "INTERFRAG_STEP_LIMIT": [[1226, "interfrag-step-limit"], [1340, null]], "INTERNAL_ROTATIONS": [[1183, null], [1222, "internal-rotations"]], "INTRAFRAG_HESS": [[1226, "intrafrag-hess"], [1342, null]], "INTRAFRAG_STEP_LIMIT": [[1226, "intrafrag-step-limit"], [1343, null]], "INTRAFRAG_STEP_LIMIT_MAX": [[1226, "intrafrag-step-limit-max"], [1344, null]], "INTRAFRAG_STEP_LIMIT_MIN": [[1226, "intrafrag-step-limit-min"], [1345, null]], "INTS_TOLERANCE": [[415, null], [740, null], [905, null], [1053, null], [1198, "ints-tolerance"], [1208, "ints-tolerance"], [1212, "ints-tolerance"], [1218, "ints-tolerance"], [1224, "ints-tolerance"], [1230, "ints-tolerance"], [1231, "ints-tolerance"], [1234, null], [1455, null], [1569, null], [1837, "ints-tolerance"], [1837, "id26"]], "IO": [[86, null]], "IOManager": [[87, null]], "IP Fitting": [[1757, "ip-fitting"]], "IP_POLES": [[1225, "ip-poles"], [1264, null]], "IRC_DIRECTION": [[1226, "irc-direction"], [1346, null]], "IRC_POINTS": [[1226, "irc-points"], [1347, null]], "IRC_STEP_SIZE": [[1226, "irc-step-size"], [1348, null]], "ISOTROPIC_POL": [[1228, "isotropic-pol"], [1390, null], [1749, "isotropic-pol"]], "ISTOP": [[838, null], [1210, "istop"]], "IV. Analysis of Intermolecular Interactions": [[1828, "IV.-Analysis-of-Intermolecular-Interactions"]], "Important BLAS Routines": [[1810, "important-blas-routines"]], "Important Lapack Routines": [[1810, "important-lapack-routines"]], "Important User Changes from cpp-optking": [[1802, "important-user-changes-from-cpp-optking"]], "InPsight": [[323, null]], "Incorporating code into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1824, "incorporating-code-into-psifour"]], "Initial Guess": [[1838, "initial-guess"]], "Initialize release branch": [[1788, "initialize-release-branch"]], "Input": [[1762, "input"], [1775, "input"]], "Inputting effective core potentials (ECPs)": [[1730, "inputting-effective-core-potentials-ecps"]], "Installation": [[1, "installation"], [1743, "installation"], [1746, "installation"], [1749, "installation"], [1754, "installation"], [1759, "installation"], [1762, "installation"], [1765, "installation"], [1773, "installation"], [1774, "installation"], [1775, "installation"], [1782, "installation"], [1783, "installation"], [1784, "installation"], [1792, "installation"], [1803, "installation"], [1805, "installation"], [1806, "installation"], [1807, "installation"], [1839, "installation"]], "Installation and Runtime Configuration": [[1767, null]], "Installing BrianQC": [[1735, "installing-brianqc"]], "Installing Sphinx": [[1764, "installing-sphinx"]], "Instantiating integral objects": [[1817, "instantiating-integral-objects"]], "IntVector": [[88, null]], "Integral consuming technologies": [[1823, "integral-consuming-technologies"]], "Integral-Direct Density-Fitted Coulomb Construction": [[1838, "integral-direct-density-fitted-coulomb-construction"]], "IntegralFactory": [[89, null]], "IntegralTransform": [[90, null]], "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1817, null]], "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1815, null]], "Interface Details": [[1792, "interface-details"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1743, null]], "Interface to CPPE by M. Scheurer": [[1749, null]], "Interface to CheMPS2 by S. Wouters": [[1746, null]], "Interface to DFTD3 by S. Grimme": [[1759, null]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1762, null]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1775, null]], "Interface to GeomeTRIC": [[1802, "interface-to-geometric"]], "Interface to LIBEFP by I. Kaliman": [[1782, null]], "Interface to LibECPInt by R. Shaw": [[1765, null]], "Interface to Libint by E. Valeev": [[1783, null]], "Interface to Libxc by M. A. L. Marques": [[1784, null]], "Interface to MRCC by M. K\u00e1llay": [[1792, null]], "Interface to Molden \u2014 molden()": [[1791, null]], "Interface to NumPy": [[1797, null]], "Interface to PCMSolver by R. Di Remigio": [[1803, null]], "Interface to SIMINT by B. Pritchard": [[1839, null]], "Interface to adcc": [[0, "interface-to-adcc"]], "Interface to adcc by M. F. Herbst and M. Scheurer": [[1, null]], "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst": [[1754, null]], "Interface to gCP by S. Grimme": [[1774, null]], "Interface to gau2grid by D. G. A. Smith": [[1773, null]], "Interface to programs through FCHK files \u2014 fchk()": [[1769, null]], "Interface to the BrianQC GPU module by the BrianQC team": [[1735, null]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1780, null]], "Interfacing with <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1814, "interfacing-with-psifour"]], "Interpreting SAPT Results": [[1837, "interpreting-sapt-results"]], "Introduction": [[1750, "introduction"], [1756, "introduction"], [1763, "introduction"], [1781, null], [1798, "introduction"], [1817, "introduction"], [1838, "introduction"], [1841, "introduction"]], "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1818, null]], "IrreducibleRepresentation": [[91, null]], "Isotopic Substitution": [[1833, "isotopic-substitution"]], "Iterative Algorithms": [[1753, "iterative-algorithms"]], "Iterative solver parameters": [[1754, "iterative-solver-parameters"]], "JK": [[92, null]], "JOBTYPE": [[516, null], [1202, "jobtype"]], "JSCH": [[1692, "jsch"], [1752, "jsch"]], "JSON": [[1721, null]], "Job Control Keywords": [[1832, "job-control-keywords"]], "KIND": [[1, "kind"], [403, null], [1197, "kind"]], "Keywords": [[400, "keywords"], [1735, "keywords"], [1750, "keywords"], [1762, "keywords"], [1836, "keywords"], [1843, "keywords"]], "Keywords by Alpha": [[1704, null]], "Keywords by Module": [[1705, null]], "Keywords for CPPE": [[1749, "keywords-for-cppe"]], "Keywords for PCMSolver": [[1803, "keywords-for-pcmsolver"]], "Keywords for adcc": [[1, "keywords-for-adcc"]], "KineticInt": [[93, null]], "Known limitations": [[1841, "known-limitations"]], "LAPACK Wrappers": [[1810, "lapack-wrappers"]], "LEVEL_SHIFT": [[928, null], [1184, null], [1213, "level-shift"], [1222, "level-shift"], [1225, "level-shift"], [1231, "level-shift"], [1265, null], [1570, null]], "LEVEL_SHIFT_CUTOFF": [[1231, "level-shift-cutoff"], [1571, null]], "LIBEFP": [[1722, null]], "LINEAR": [[540, null], [1203, "linear"]], "LINEQ_SOLVER": [[929, null], [1213, "lineq-solver"]], "LINK_INTS_TOLERANCE": [[1231, "link-ints-tolerance"], [1572, null]], "LITERAL_CFOUR": [[1130, null], [1221, "literal-cfour"]], "LOCAL": [[441, null], [478, null], [517, null], [541, null], [1199, "local"], [1200, "local"], [1202, "local"], [1203, "local"]], "LOCAL_CONVERGENCE": [[973, null], [1054, null], [1214, "local-convergence"], [1218, "local-convergence"], [1231, "local-convergence"], [1573, null]], "LOCAL_CPHF_CUTOFF": [[442, null], [518, null], [542, null], [1199, "local-cphf-cutoff"], [1202, "local-cphf-cutoff"], [1203, "local-cphf-cutoff"]], "LOCAL_CUTOFF": [[443, null], [479, null], [519, null], [543, null], [1199, "local-cutoff"], [1200, "local-cutoff"], [1202, 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Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1781, "id59"]], "Summary of Dunning Douglas-Kroll orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1733, "id18"]], "Summary of Dunning F12 orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1733, "id19"]], "Summary of Dunning JK-fitting basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1733, "id20"]], "Summary of Dunning MP2-fitting basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1733, "id21"]], "Summary of Dunning dual-basis helper basis sets available in <span style=\"font-family: Optima, sans-serif; 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"api/psi4.driver.p4util.free_atom_volumes", "api/psi4.driver.p4util.get_memory", "api/psi4.driver.p4util.get_psifile", "api/psi4.driver.p4util.getattr_ignorecase", "api/psi4.driver.p4util.hamiltonian_solver", "api/psi4.driver.p4util.hold_options_state", "api/psi4.driver.p4util.import_ignorecase", "api/psi4.driver.p4util.kwargs_lower", "api/psi4.driver.p4util.levenshtein", "api/psi4.driver.p4util.libint2_configuration", "api/psi4.driver.p4util.libint2_print_out", "api/psi4.driver.p4util.mat2arr", "api/psi4.driver.p4util.message_box", "api/psi4.driver.p4util.oeprop", "api/psi4.driver.p4util.pcm_helper", "api/psi4.driver.p4util.plump_qcvar", "api/psi4.driver.p4util.prefactor_ecd", "api/psi4.driver.p4util.prefactor_opa", "api/psi4.driver.p4util.prepare_options_for_modules", "api/psi4.driver.p4util.prepare_options_for_set_options", "api/psi4.driver.p4util.provenance_stamp", "api/psi4.driver.p4util.sanitize_method", "api/psi4.driver.p4util.set_memory", "api/psi4.driver.p4util.set_module_options", "api/psi4.driver.p4util.set_options", "api/psi4.driver.p4util.spectrum", "api/psi4.driver.p4util.state_to_atomicinput", "api/psi4.driver.pcm_helper", "api/psi4.driver.process_input", "api/psi4.driver.prop", "api/psi4.driver.properties", "api/psi4.driver.qcdb.vib.compare_vibinfos", "api/psi4.driver.qcdb.vib.filter_nonvib", "api/psi4.driver.qcdb.vib.filter_omega_to_real", "api/psi4.driver.qcdb.vib.harmonic_analysis", "api/psi4.driver.qcdb.vib.hessian_symmetrize", "api/psi4.driver.qcdb.vib.print_molden_vibs", "api/psi4.driver.qcdb.vib.print_vibs", "api/psi4.driver.qcdb.vib.thermo", "api/psi4.driver.sanitize_method", "api/psi4.driver.sanitize_name", "api/psi4.driver.scf_helper", "api/psi4.driver.scf_wavefunction_factory", "api/psi4.driver.set_memory", "api/psi4.driver.set_module_options", "api/psi4.driver.set_options", "api/psi4.driver.tdscf", "api/psi4.driver.vibanal_wfn", "appendices", "autodir_options_c/adc__cutoff_amps_print", "autodir_options_c/adc__gauge", "autodir_options_c/adc__kind", "autodir_options_c/adc__max_num_vecs", "autodir_options_c/adc__maxiter", "autodir_options_c/adc__num_core_orbitals", "autodir_options_c/adc__num_guesses", "autodir_options_c/adc__r_convergence", "autodir_options_c/adc__reference", "autodir_options_c/adc__roots_per_irrep", "autodir_options_c/ccdensity__ao_basis", "autodir_options_c/ccdensity__cachelevel", "autodir_options_c/ccdensity__debug", "autodir_options_c/ccdensity__gauge", "autodir_options_c/ccdensity__ints_tolerance", "autodir_options_c/ccdensity__opdm_only", "autodir_options_c/ccdensity__opdm_relax", "autodir_options_c/ccdensity__prop_all", "autodir_options_c/ccdensity__prop_root", "autodir_options_c/ccdensity__prop_sym", "autodir_options_c/ccdensity__reference", "autodir_options_c/ccdensity__roots_per_irrep", "autodir_options_c/ccdensity__wfn", "autodir_options_c/ccdensity__write_nos", "autodir_options_c/ccdensity__xi", "autodir_options_c/ccdensity__xi_connect", "autodir_options_c/ccdensity__zeta", "autodir_options_c/ccenergy__abcd", "autodir_options_c/ccenergy__analyze", "autodir_options_c/ccenergy__ao_basis", "autodir_options_c/ccenergy__bccd_maxiter", "autodir_options_c/ccenergy__brueckner_orbs_r_convergence", "autodir_options_c/ccenergy__cachelevel", "autodir_options_c/ccenergy__cachetype", "autodir_options_c/ccenergy__cc_num_threads", "autodir_options_c/ccenergy__cc_os_scale", "autodir_options_c/ccenergy__cc_ss_scale", "autodir_options_c/ccenergy__diis", "autodir_options_c/ccenergy__e_convergence", "autodir_options_c/ccenergy__force_restart", "autodir_options_c/ccenergy__local", "autodir_options_c/ccenergy__local_cphf_cutoff", "autodir_options_c/ccenergy__local_cutoff", "autodir_options_c/ccenergy__local_method", "autodir_options_c/ccenergy__local_pairdef", "autodir_options_c/ccenergy__local_weakp", "autodir_options_c/ccenergy__maxiter", "autodir_options_c/ccenergy__mp2_amps_print", "autodir_options_c/ccenergy__mp2_os_scale", "autodir_options_c/ccenergy__mp2_ss_scale", "autodir_options_c/ccenergy__new_triples", "autodir_options_c/ccenergy__num_amps_print", "autodir_options_c/ccenergy__pair_energies_print", "autodir_options_c/ccenergy__property", "autodir_options_c/ccenergy__r_convergence", "autodir_options_c/ccenergy__reference", "autodir_options_c/ccenergy__restart", "autodir_options_c/ccenergy__scs_ccsd", "autodir_options_c/ccenergy__scs_mp2", "autodir_options_c/ccenergy__scsn_mp2", "autodir_options_c/ccenergy__semicanonical", "autodir_options_c/ccenergy__t2_coupled", "autodir_options_c/ccenergy__t3_ws_incore", "autodir_options_c/ccenergy__wfn", "autodir_options_c/cceom__abcd", "autodir_options_c/cceom__cachelevel", "autodir_options_c/cceom__cachetype", "autodir_options_c/cceom__cc3_follow_root", "autodir_options_c/cceom__cc_num_threads", "autodir_options_c/cceom__collapse_with_last", "autodir_options_c/cceom__collapse_with_last_cc3", "autodir_options_c/cceom__complex_tolerance", "autodir_options_c/cceom__e_convergence", "autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_algorithm", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__doi_basis_tolerance", "autodir_options_c/dlpno__doi_pruning_scheme", "autodir_options_c/dlpno__doi_radial_points", "autodir_options_c/dlpno__doi_spherical_points", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__ls_thc_basis_tolerance", "autodir_options_c/globals__ls_thc_df", "autodir_options_c/globals__ls_thc_pruning_scheme", "autodir_options_c/globals__ls_thc_radial_points", "autodir_options_c/globals__ls_thc_s_epsilon", "autodir_options_c/globals__ls_thc_spherical_points", "autodir_options_c/globals__ls_thc_weights_tolerance", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__custom_coords", "autodir_options_c/optking__dynamic_level", "autodir_options_c/optking__ensure_bt_convergence", "autodir_options_c/optking__ext_force_bend", "autodir_options_c/optking__ext_force_cartesian", "autodir_options_c/optking__ext_force_dihedral", "autodir_options_c/optking__ext_force_distance", "autodir_options_c/optking__ext_force_oofp", "autodir_options_c/optking__flexible_g_convergence", "autodir_options_c/optking__frag_mode", "autodir_options_c/optking__frag_ref_atoms", "autodir_options_c/optking__freeze_all_dihedrals", "autodir_options_c/optking__freeze_interfrag", "autodir_options_c/optking__freeze_intrafrag", "autodir_options_c/optking__frozen_bend", "autodir_options_c/optking__frozen_cartesian", "autodir_options_c/optking__frozen_dihedral", "autodir_options_c/optking__frozen_distance", "autodir_options_c/optking__frozen_oofp", "autodir_options_c/optking__full_hess_every", "autodir_options_c/optking__g_convergence", "autodir_options_c/optking__geom_maxiter", "autodir_options_c/optking__h_bond_connect", "autodir_options_c/optking__h_guess_every", "autodir_options_c/optking__h_update_den_tol", "autodir_options_c/optking__hess_update", "autodir_options_c/optking__hess_update_limit", "autodir_options_c/optking__hess_update_limit_max", "autodir_options_c/optking__hess_update_limit_scale", "autodir_options_c/optking__hess_update_use_last", "autodir_options_c/optking__intcos_generate_exit", "autodir_options_c/optking__interfrag_collinear_tol", "autodir_options_c/optking__interfrag_coords", "autodir_options_c/optking__interfrag_dist_inv", "autodir_options_c/optking__interfrag_hess", "autodir_options_c/optking__interfrag_mode", "autodir_options_c/optking__interfrag_step_limit", "autodir_options_c/optking__interfragment_connect", "autodir_options_c/optking__intrafrag_hess", "autodir_options_c/optking__intrafrag_step_limit", "autodir_options_c/optking__intrafrag_step_limit_max", "autodir_options_c/optking__intrafrag_step_limit_min", "autodir_options_c/optking__irc_direction", "autodir_options_c/optking__irc_points", "autodir_options_c/optking__irc_step_size", "autodir_options_c/optking__max_disp_g_convergence", "autodir_options_c/optking__max_energy_g_convergence", "autodir_options_c/optking__max_force_g_convergence", "autodir_options_c/optking__opt_coordinates", "autodir_options_c/optking__opt_restart", "autodir_options_c/optking__opt_type", "autodir_options_c/optking__print_opt_params", "autodir_options_c/optking__print_trajectory_xyz_file", "autodir_options_c/optking__ranged_bend", "autodir_options_c/optking__ranged_dihedral", "autodir_options_c/optking__ranged_distance", "autodir_options_c/optking__ranged_oofp", "autodir_options_c/optking__rfo_follow_root", "autodir_options_c/optking__rfo_normalization_max", "autodir_options_c/optking__rfo_root", "autodir_options_c/optking__rms_disp_g_convergence", "autodir_options_c/optking__rms_force_g_convergence", "autodir_options_c/optking__rsrfo_alpha_max", "autodir_options_c/optking__save_optimization", "autodir_options_c/optking__step_type", "autodir_options_c/optking__test_b", "autodir_options_c/optking__test_derivative_b", "autodir_options_c/optking__unfreeze_dihedrals", "autodir_options_c/optking__write_opt_history", "autodir_options_c/optking__write_opt_result", "autodir_options_c/optking__write_trajectory", "autodir_options_c/pcm__pcm_cc_type", "autodir_options_c/pcm__pcm_scf_type", "autodir_options_c/pcm__pcmsolver_parsed_fname", "autodir_options_c/pe__border", "autodir_options_c/pe__border_n_redist", "autodir_options_c/pe__border_redist_order", "autodir_options_c/pe__border_redist_pol", "autodir_options_c/pe__border_rmin", "autodir_options_c/pe__border_rmin_unit", "autodir_options_c/pe__border_type", "autodir_options_c/pe__damp_induced", "autodir_options_c/pe__damp_multipole", "autodir_options_c/pe__damping_factor_induced", "autodir_options_c/pe__damping_factor_multipole", "autodir_options_c/pe__induced_convergence", "autodir_options_c/pe__isotropic_pol", "autodir_options_c/pe__maxiter", "autodir_options_c/pe__pe_ecp", "autodir_options_c/pe__potfile", "autodir_options_c/pe__summation_fields", "autodir_options_c/pe__tree_expansion_order", "autodir_options_c/pe__tree_theta", "autodir_options_c/psimrcc__cc_num_threads", "autodir_options_c/psimrcc__corr_ansatz", "autodir_options_c/psimrcc__corr_ccsd_t", "autodir_options_c/psimrcc__corr_charge", "autodir_options_c/psimrcc__corr_multp", "autodir_options_c/psimrcc__corr_wfn", "autodir_options_c/psimrcc__coupling", "autodir_options_c/psimrcc__coupling_terms", "autodir_options_c/psimrcc__damping_percentage", "autodir_options_c/psimrcc__diagonal_ccsd_t", "autodir_options_c/psimrcc__diagonalize_heff", "autodir_options_c/psimrcc__diis_max_vecs", "autodir_options_c/psimrcc__diis_start", "autodir_options_c/psimrcc__e_convergence", "autodir_options_c/psimrcc__favg_ccsd_t", "autodir_options_c/psimrcc__follow_root", "autodir_options_c/psimrcc__heff4", "autodir_options_c/psimrcc__heff_print", "autodir_options_c/psimrcc__lock_singlet", "autodir_options_c/psimrcc__maxiter", "autodir_options_c/psimrcc__mp2_ccsd_method", "autodir_options_c/psimrcc__mp2_guess", "autodir_options_c/psimrcc__no_singles", "autodir_options_c/psimrcc__offdiagonal_ccsd_t", "autodir_options_c/psimrcc__perturb_cbs", "autodir_options_c/psimrcc__perturb_cbs_coupling", "autodir_options_c/psimrcc__pt_energy", "autodir_options_c/psimrcc__r_convergence", "autodir_options_c/psimrcc__small_cutoff", "autodir_options_c/psimrcc__tikhonow_max", "autodir_options_c/psimrcc__tikhonow_omega", "autodir_options_c/psimrcc__tikhonow_triples", "autodir_options_c/psimrcc__triples_algorithm", "autodir_options_c/psimrcc__triples_diis", "autodir_options_c/psimrcc__use_spin_sym", "autodir_options_c/psimrcc__use_spin_symmetry", "autodir_options_c/psimrcc__wfn_sym", "autodir_options_c/psimrcc__zero_internal_amps", "autodir_options_c/sapt__aio_cphf", "autodir_options_c/sapt__aio_df_ints", "autodir_options_c/sapt__basis", "autodir_options_c/sapt__ccd_e_convergence", "autodir_options_c/sapt__ccd_maxiter", "autodir_options_c/sapt__ccd_t_convergence", "autodir_options_c/sapt__coupled_induction", "autodir_options_c/sapt__cphf_r_convergence", "autodir_options_c/sapt__denominator_algorithm", "autodir_options_c/sapt__denominator_delta", "autodir_options_c/sapt__df_basis_elst", "autodir_options_c/sapt__df_basis_sapt", "autodir_options_c/sapt__do_ccd_disp", "autodir_options_c/sapt__do_disp_exch_sinf", "autodir_options_c/sapt__do_ind30_exch_sinf", "autodir_options_c/sapt__do_ind_exch_sinf", "autodir_options_c/sapt__do_mbpt_disp", "autodir_options_c/sapt__do_third_order", "autodir_options_c/sapt__exch_scale_alpha", "autodir_options_c/sapt__freeze_core", "autodir_options_c/sapt__ints_tolerance", "autodir_options_c/sapt__max_ccd_diisvecs", "autodir_options_c/sapt__maxiter", "autodir_options_c/sapt__min_ccd_diisvecs", "autodir_options_c/sapt__nat_orbs_t2", "autodir_options_c/sapt__nat_orbs_t3", "autodir_options_c/sapt__nat_orbs_v4", "autodir_options_c/sapt__occ_tolerance", "autodir_options_c/sapt__print", "autodir_options_c/sapt__sapt0_e10", "autodir_options_c/sapt__sapt0_e20disp", "autodir_options_c/sapt__sapt0_e20ind", "autodir_options_c/sapt__sapt_dft_do_dhf", "autodir_options_c/sapt__sapt_dft_do_hybrid", "autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale", "autodir_options_c/sapt__sapt_dft_exch_disp_scale_scheme", "autodir_options_c/sapt__sapt_dft_functional", "autodir_options_c/sapt__sapt_dft_grac_determination", "autodir_options_c/sapt__sapt_dft_grac_shift_a", "autodir_options_c/sapt__sapt_dft_grac_shift_b", "autodir_options_c/sapt__sapt_dft_mp2_disp_alg", "autodir_options_c/sapt__sapt_fdds_disp_leg_lambda", "autodir_options_c/sapt__sapt_fdds_disp_num_points", "autodir_options_c/sapt__sapt_fdds_v2_rho_cutoff", "autodir_options_c/sapt__sapt_level", "autodir_options_c/sapt__sapt_mem_check", "autodir_options_c/sapt__sapt_mem_factor", "autodir_options_c/sapt__sapt_mem_safety", "autodir_options_c/sapt__sapt_quiet", "autodir_options_c/scf__basis", "autodir_options_c/scf__basis_guess", "autodir_options_c/scf__cholesky_tolerance", "autodir_options_c/scf__cosx_basis_tolerance", "autodir_options_c/scf__cosx_density_tolerance", "autodir_options_c/scf__cosx_ints_tolerance", "autodir_options_c/scf__cosx_maxiter_final", "autodir_options_c/scf__cosx_overlap_fitting", "autodir_options_c/scf__cosx_pruning_scheme", "autodir_options_c/scf__cosx_radial_points_final", "autodir_options_c/scf__cosx_radial_points_initial", "autodir_options_c/scf__cosx_spherical_points_final", "autodir_options_c/scf__cosx_spherical_points_initial", "autodir_options_c/scf__d_convergence", "autodir_options_c/scf__damping_convergence", "autodir_options_c/scf__damping_percentage", "autodir_options_c/scf__df_basis_guess", "autodir_options_c/scf__df_basis_sad", "autodir_options_c/scf__df_basis_scf", "autodir_options_c/scf__df_bump_r0", "autodir_options_c/scf__df_bump_r1", "autodir_options_c/scf__df_domains", "autodir_options_c/scf__df_fitting_condition", "autodir_options_c/scf__df_ints_io", "autodir_options_c/scf__df_ints_num_threads", "autodir_options_c/scf__df_metric", "autodir_options_c/scf__df_scf_guess", "autodir_options_c/scf__df_theta", 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"psi4.core.SuperFunctional.add_x_functional", false]], "addbasis() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.addBasis", false]], "addcharge() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.addCharge", false]], "addchargeangstrom() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addChargeAngstrom", false]], "addchargebohr() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addChargeBohr", false]], "adddiffuse() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.addDiffuse", false]], "adding new": [[1730, "index-3", false], [1782, "index-1", false], [1834, "index-0", false], [1835, "index-0", false]], "advanced-keywords": [[1771, "index-3", false]], "aindex() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.aIndex", false]], "aio_cphf (sapt)": [[1704, "term-AIO_CPHF-SAPT", true]], "aio_df_ints (sapt)": [[1704, "term-AIO_DF_INTS-SAPT", true]], "algorithm (dct)": [[1704, "term-ALGORITHM-DCT", true]], "all() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.all", false]], "all_casings() (in module psi4.driver.p4util)": [[330, "psi4.driver.p4util.all_casings", false]], "allen_focal_point() (in module psi4.driver.aliases)": [[1740, "psi4.driver.aliases.allen_focal_point", false]], "allocate() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.allocate", false]], "alpha() (psi4.core.functional method)": [[80, "psi4.core.Functional.alpha", false]], "alpha_corr_to_pitzer() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.alpha_corr_to_pitzer", false]], "alpha_orbital_space() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.alpha_orbital_space", false]], "am (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.am", false]], "amchar (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.AMCHAR", false], [81, "psi4.core.GaussianShell.amchar", false]], "analyze (ccenergy)": [[1704, "term-ANALYZE-CCENERGY", true]], "analyze (ccresponse)": [[1704, "term-ANALYZE-CCRESPONSE", true]], "angstrom (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.Angstrom", false]], "angularmomentumint (class in psi4.core)": [[4, "psi4.core.AngularMomentumInt", false]], "anharmonicity()": [[1761, "index-0", false]], "anharmonicity() (in module psi4.driver.diatomic)": [[1761, "psi4.driver.diatomic.anharmonicity", false]], "ansatz() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.ansatz", false]], "ansatz() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.ansatz", false]], "ao_3center_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_3center_deriv1", false]], "ao_3coverlap() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_3coverlap", false]], "ao_angular_momentum() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_angular_momentum", false]], "ao_angular_momentum() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_angular_momentum", false]], "ao_basis (ccdensity)": [[1704, "term-AO_BASIS-CCDENSITY", true]], "ao_basis (ccenergy)": [[1704, "term-AO_BASIS-CCENERGY", true]], "ao_basis (cclambda)": [[1704, "term-AO_BASIS-CCLAMBDA", true]], "ao_basis (cctransort)": [[1704, "term-AO_BASIS-CCTRANSORT", true]], "ao_basis (dct)": [[1704, "term-AO_BASIS-DCT", true]], "ao_dipole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_dipole", false]], "ao_dipole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_dipole", false]], "ao_dkh() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_dkh", false]], "ao_efp_multipole_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_efp_multipole_potential", false]], "ao_elec_dip_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_elec_dip_deriv1", false]], "ao_erf_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_erf_eri", false]], "ao_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_eri", false]], "ao_eri_shell() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_eri_shell", false]], "ao_f12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12", false]], "ao_f12_double_commutator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12_double_commutator", false]], "ao_f12_squared() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12_squared", false]], "ao_f12g12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12g12", false]], "ao_kinetic() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_kinetic", false]], "ao_kinetic() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_kinetic", false]], "ao_metric_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_metric_deriv1", false]], "ao_multipole_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_multipole_potential", false]], "ao_multipole_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_multipole_potential", false]], "ao_multipoles() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_multipoles", false]], "ao_multipoles() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_multipoles", false]], "ao_nabla() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_nabla", false]], "ao_nabla() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_nabla", false]], "ao_oei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_oei_deriv1", false]], "ao_oei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_oei_deriv2", false]], "ao_overlap() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_overlap", false]], "ao_overlap() 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(psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_tei_deriv1", false]], "ao_tei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_tei_deriv2", false]], "ao_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ao_to_shell", false]], "ao_traceless_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_traceless_quadrupole", false]], "ao_traceless_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_traceless_quadrupole", false]], "aorbs() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.aOrbs", false]], "aoshellcombinationsiterator (class in psi4.core)": [[3, "psi4.core.AOShellCombinationsIterator", false]], "aotoso() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.aotoso", false]], "aotoso() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.aotoso", false]], "append() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.append", false]], "appendcharges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.appendCharges", false]], "apply_denominator() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.apply_denominator", false]], "approx_solve() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.approx_solve", false]], "aqcc correlation energy": [[1776, "psivar-AQCC-CORRELATION-ENERGY", false]], "aqcc dipole": [[1776, "psivar-AQCC-DIPOLE", false]], "aqcc doubles energy": [[1776, "psivar-AQCC-DOUBLES-ENERGY", false]], "aqcc opposite-spin correlation energy": [[1776, "psivar-AQCC-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "aqcc quadrupole": [[1776, "psivar-AQCC-QUADRUPOLE", false]], "aqcc same-spin correlation energy": [[1776, "psivar-AQCC-SAME-SPIN-CORRELATION-ENERGY", false]], "aqcc singles energy": [[1776, "psivar-AQCC-SINGLES-ENERGY", false]], "aqcc total energy": [[1776, "psivar-AQCC-TOTAL-ENERGY", false]], "arbitrary-order coupled-cluster theory": [[1755, "index-5", false]], "arbitrary-order perturbation theory": [[1755, "index-4", false]], "architectures": [[1781, "index-0", false]], "array_interface() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.array_interface", false]], "array_interface() (psi4.core.vector method)": [[148, "psi4.core.Vector.array_interface", false]], "array_to_matrix() (in module psi4.driver.p4util)": [[331, "psi4.driver.p4util.array_to_matrix", false]], "array_to_matrix() (in module psi4.driver.p4util.numpy_helper)": [[1797, "psi4.driver.p4util.numpy_helper.array_to_matrix", false]], "array_variable() (in module psi4.core)": [[151, "psi4.core.array_variable", false]], "array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.array_variable", false]], "array_variables() (in module psi4.core)": [[152, "psi4.core.array_variables", false]], "array_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.array_variables", false]], "arrays() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.arrays", false]], "ascending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Ascending", false]], "atom (psi4.core.salccomponent attribute)": [[134, "psi4.core.SalcComponent.atom", false]], "atom_at_position() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.atom_at_position", false]], "atomic_blocks() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.atomic_blocks", false]], "atomic_point_charges() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.atomic_point_charges", false]], "atoms (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.atoms", false]], "attempt_number_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.attempt_number_", false]], "auto_fragments() (in module psi4.driver.wrapper_autofrag)": [[1768, "psi4.driver.wrapper_autofrag.auto_fragments", false]], "aux_overlap() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.aux_overlap", false]], "auxiliary": [[1730, "index-2", false]], "auxiliary_bond_factor (optking)": [[1704, "term-AUXILIARY_BOND_FACTOR-OPTKING", true]], "available": [[1752, "index-4", false]], "available by element": [[1731, "index-0", false]], "available by family": [[1730, "index-0", false], [1733, "index-0", false]], "available functionals": [[1758, "index-0", false]], "avg_states (detci)": [[1704, "term-AVG_STATES-DETCI", true]], "avg_weights (detci)": [[1704, "term-AVG_WEIGHTS-DETCI", true]], "axpby() (psi4.core.vector method)": [[148, "psi4.core.Vector.axpby", false]], "axpy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.axpy", false]], "axpy() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.axpy", false]], "axpy() (psi4.core.vector method)": [[148, "psi4.core.Vector.axpy", false]], "axpy_matrix() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.axpy_matrix", false]], "axpy_matrix() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.axpy_matrix", false]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1704, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[282, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1755, "index-2", false], [1771, "index-2", false]], "basis (dfmp2)": [[1704, "term-BASIS-DFMP2", true]], "basis (mints)": [[1704, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1704, "term-BASIS-SAPT", true]], "basis (scf)": [[1704, "term-BASIS-SCF", true]], "basis set": [[1730, "index-0", false], [1730, "index-1", false], [1730, "index-2", false], [1730, "index-3", false], [1731, "index-0", false], [1732, "index-0", false], [1733, "index-0", false], [1740, "index-0", false], [1740, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[147, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1704, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[283, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1704, "term-BASIS_RELATIVISTIC-GLOBALS", true]], "basis_values() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.basis_values", false]], "basisextents (class in psi4.core)": [[6, "psi4.core.BasisExtents", false]], "basisfunctions (class in psi4.core)": [[7, "psi4.core.BasisFunctions", false]], "basisset (class in psi4.core)": [[8, "psi4.core.BasisSet", false]], "basisset() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.basisset", false]], "basisset() (psi4.core.jk method)": [[92, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1776, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1704, "term-BCCD_MAXITER-CCENERGY", true]], "be_quiet() (in module psi4.core)": [[153, "psi4.core.be_quiet", false]], "begin() (psi4.core.slice method)": [[137, "psi4.core.Slice.begin", false]], "bench (globals)": [[1704, "term-BENCH-GLOBALS", true]], "benchmark_blas1() (in module psi4.core)": [[154, "psi4.core.benchmark_blas1", false]], "benchmark_blas2() (in module psi4.core)": [[155, "psi4.core.benchmark_blas2", false]], "benchmark_blas3() (in module psi4.core)": [[156, "psi4.core.benchmark_blas3", false]], "benchmark_disk() (in module psi4.core)": [[157, "psi4.core.benchmark_disk", false]], "benchmark_integrals() (in module psi4.core)": [[158, "psi4.core.benchmark_integrals", false]], "benchmark_math() (in module psi4.core)": [[159, "psi4.core.benchmark_math", false]], "bendazzoli (detci)": [[1704, "term-BENDAZZOLI-DETCI", true]], "beta_corr_to_pitzer() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.beta_corr_to_pitzer", false]], "beta_orbital_space() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.beta_orbital_space", false]], "bfs() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.BFS", false]], "bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.bibtex", false]], "bindex() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.bIndex", false]], "bits() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.bits", false]], "blank() (psi4.core.superfunctional static method)": [[138, "psi4.core.SuperFunctional.blank", false]], "blend() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.blend", false]], "block_diagonal_array() (in module psi4.driver.p4util)": [[334, "psi4.driver.p4util.block_diagonal_array", false]], "blockopoints (class in psi4.core)": [[9, "psi4.core.BlockOPoints", false]], "blocks() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.blocks", false]], "bohr (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.Bohr", false]], "bohr_per_ang (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bohr_per_ang", false]], "bond_width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bond_width", false]], "bonding_alpha (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonding_alpha", false]], "bonds (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonds", false]], "borbs() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.bOrbs", false]], "border (pe)": [[1704, "term-BORDER-PE", true]], "border_n_redist (pe)": [[1704, "term-BORDER_N_REDIST-PE", true]], "border_redist_order (pe)": [[1704, "term-BORDER_REDIST_ORDER-PE", true]], "border_redist_pol (pe)": [[1704, "term-BORDER_REDIST_POL-PE", true]], "border_rmin (pe)": [[1704, "term-BORDER_RMIN-PE", true]], "border_rmin_unit (pe)": [[1704, "term-BORDER_RMIN_UNIT-PE", true]], "border_type (pe)": [[1704, "term-BORDER_TYPE-PE", true]], "boyslocalizer (class in psi4.core)": [[10, "psi4.core.BoysLocalizer", false]], "brianqc": [[1735, "index-0", false]], "brianqc_enable": [[1735, "envvar-BRIANQC_ENABLE", false], [1735, "index-4", false]], "brianqc_enable (globals)": [[1704, "term-BRIANQC_ENABLE-GLOBALS", true]], "brianqc_install_path": [[1735, "envvar-BRIANQC_INSTALL_PATH", false], [1735, "index-2", false], [1735, "index-3", false]], "brianqc_sdk_install": [[1735, "envvar-BRIANQC_SDK_INSTALL", false], [1735, "index-1", false]], "brueckner converged": [[1776, "psivar-BRUECKNER-CONVERGED", false]], "brueckner_maxiter (fnocc)": [[1704, "term-BRUECKNER_MAXITER-FNOCC", true]], "brueckner_orbs_r_convergence (ccenergy)": [[1704, "term-BRUECKNER_ORBS_R_CONVERGENCE-CCENERGY", true]], "bsse": [[1794, "index-0", false]], "bsse_type (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.bsse_type", false]], "bsseenum (class in psi4.driver.driver_nbody)": [[1794, "psi4.driver.driver_nbody.BsseEnum", false]], "bsvec (class in psi4.core)": [[5, "psi4.core.BSVec", false]], "bugs": [[1781, "index-3", false]], "build() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.build", false]], "build() (psi4.core.dftgrid static method)": [[29, "psi4.core.DFTGrid.build", false]], "build() (psi4.core.dispersion static method)": [[68, "psi4.core.Dispersion.build", false]], "build() (psi4.core.jk static method)": [[92, "psi4.core.JK.build", false]], "build() (psi4.core.localizer static method)": [[97, "psi4.core.Localizer.build", false]], "build() (psi4.core.vbase static method)": [[147, "psi4.core.VBase.build", false]], "build() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.build", false]], "build_base() (psi4.core.functional static method)": [[80, "psi4.core.Functional.build_base", false]], "build_cabs_space() (psi4.core.orbitalspace static method)": [[115, "psi4.core.OrbitalSpace.build_cabs_space", false]], "build_collocation_cache() (psi4.core.vbase method)": [[147, "psi4.core.VBase.build_collocation_cache", false]], "build_jk() (psi4.core.jk static method)": [[92, "psi4.core.JK.build_JK", false]], "build_ri_space() (psi4.core.orbitalspace static method)": [[115, "psi4.core.OrbitalSpace.build_ri_space", false]], "build_sad() (psi4.core.sadguess static method)": [[131, "psi4.core.SADGuess.build_SAD", false]], "build_tasks() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.build_tasks", false]], "c() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.C", false]], "c1_deep_copy() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rhf method)": [[128, "psi4.core.RHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.uhf method)": [[145, "psi4.core.UHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.c1_deep_copy", false]], "c2_x() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.c2_x", false]], "c2_y() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.c2_y", false]], "c2_z() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.c2_z", false]], "c_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_add", false]], "c_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_alpha", false]], "c_clear() (psi4.core.jk method)": [[92, "psi4.core.JK.C_clear", false]], "c_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_functional", false]], "c_functionals() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_functionals", false]], "c_left_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_left_add", false]], "c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_omega", false]], "c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_os_alpha", false]], "c_right_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_right_add", false]], "c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_ss_alpha", false]], "ca() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Ca", false]], "ca() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Ca", false]], "ca_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Ca_subset", false]], "cachelevel (ccdensity)": [[1704, "term-CACHELEVEL-CCDENSITY", true]], "cachelevel (ccenergy)": [[1704, "term-CACHELEVEL-CCENERGY", true]], "cachelevel (cceom)": [[1704, "term-CACHELEVEL-CCEOM", true]], "cachelevel (cchbar)": [[1704, "term-CACHELEVEL-CCHBAR", true]], "cachelevel (cclambda)": [[1704, "term-CACHELEVEL-CCLAMBDA", true]], "cachelevel (ccresponse)": [[1704, "term-CACHELEVEL-CCRESPONSE", true]], "cachelevel (cctransort)": [[1704, "term-CACHELEVEL-CCTRANSORT", true]], "cachelevel (dct)": [[1704, "term-CACHELEVEL-DCT", true]], "cachelevel (occ)": [[1704, "term-CACHELEVEL-OCC", true]], "cachetype (ccenergy)": [[1704, "term-CACHETYPE-CCENERGY", true]], "cachetype (cceom)": [[1704, "term-CACHETYPE-CCEOM", true]], "calc_s_squared (detci)": [[1704, "term-CALC_S_SQUARED-DETCI", true]], "canonicalize_active_favg (mcscf)": [[1704, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF", true]], "canonicalize_inactive_favg (mcscf)": [[1704, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF", true]], "cart_hess_read (optking)": [[1704, "term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1704, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1776, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1776, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1776, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1776, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[284, "index-0", false], [1740, "index-0", false], [1740, "index-1", false], [1740, "index-2", false], [1740, "index-3", false], [1741, "index-0", false]], "cbs() (in module psi4.driver)": [[284, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1742, "index-0", false]], "cc (detci)": [[1704, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1776, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1776, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1776, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1776, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1776, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1776, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1776, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1776, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1776, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1776, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1776, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1776, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1776, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1776, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1776, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1776, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1776, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1776, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1776, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1742, "index-0", false]], "cc2 alpha-alpha pair energies": [[1776, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1776, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1776, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1776, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1776, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1776, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1776, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1776, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1776, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1776, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1776, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1776, "psivar-CC3-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc3 alpha-beta pair energies": [[1776, "psivar-CC3-ALPHA-BETA-PAIR-ENERGIES", false]], "cc3 correlation energy": [[1776, "psivar-CC3-CORRELATION-ENERGY", false]], "cc3 singlet pair energies": [[1776, "psivar-CC3-SINGLET-PAIR-ENERGIES", false]], "cc3 total energy": [[1776, "psivar-CC3-TOTAL-ENERGY", false]], "cc3 triplet pair energies": [[1776, "psivar-CC3-TRIPLET-PAIR-ENERGIES", false]], "cc3_follow_root (cceom)": [[1704, "term-CC3_FOLLOW_ROOT-CCEOM", true]], "cc4 correlation energy": [[1776, "psivar-CC4-CORRELATION-ENERGY", false]], "cc4 total energy": [[1776, "psivar-CC4-TOTAL-ENERGY", false]], "cc_a_ras3_max (detci)": [[1704, "term-CC_A_RAS3_MAX-DETCI", true]], "cc_b_ras3_max (detci)": [[1704, "term-CC_B_RAS3_MAX-DETCI", true]], "cc_diis_max_vecs (dfocc)": [[1704, "term-CC_DIIS_MAX_VECS-DFOCC", true]], "cc_diis_min_vecs (dfocc)": [[1704, "term-CC_DIIS_MIN_VECS-DFOCC", true]], "cc_ex_level (detci)": [[1704, "term-CC_EX_LEVEL-DETCI", true]], "cc_fix_external (detci)": [[1704, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1704, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1704, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1704, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1704, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1704, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1704, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1704, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1704, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1704, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1704, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1704, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1704, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1704, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1704, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1704, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1704, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1704, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1704, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1704, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1704, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1704, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1704, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1704, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1704, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1776, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1776, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1776, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1776, "psivar-CCD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccd singles energy": [[1776, "psivar-CCD-SINGLES-ENERGY", false]], "ccd total energy": [[1776, "psivar-CCD-TOTAL-ENERGY", false]], "ccd_e_convergence (sapt)": [[1704, "term-CCD_E_CONVERGENCE-SAPT", true]], "ccd_maxiter (sapt)": [[1704, "term-CCD_MAXITER-SAPT", true]], "ccd_t_convergence (sapt)": [[1704, "term-CCD_T_CONVERGENCE-SAPT", true]], "ccdensity() (in module psi4.core)": [[160, "psi4.core.ccdensity", false]], "ccenergy() (in module psi4.core)": [[161, "psi4.core.ccenergy", false]], "cceom() (in module psi4.core)": [[162, "psi4.core.cceom", false]], "cchbar() (in module psi4.core)": [[163, "psi4.core.cchbar", false]], "ccl_energy (occ)": [[1704, "term-CCL_ENERGY-OCC", true]], "cclambda() (in module psi4.core)": [[164, "psi4.core.cclambda", false]], "ccn correlation energy": [[1776, "psivar-CCn-CORRELATION-ENERGY", false]], "ccn total energy": [[1776, "psivar-CCn-TOTAL-ENERGY", false]], "ccn-1a correlation energy": [[1776, "psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1776, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1776, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1776, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1776, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1776, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m (in h) -> root n (in i) einstein a (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-A-LEN", false]], "ccname root m (in h) -> root n (in i) einstein b (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-B-LEN", false]], "ccname root m (in h) -> root n (in i) oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n einstein a (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN", false]], "ccname root m -> root n einstein a (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN-h-TRANSITION", false]], "ccname root m -> root n einstein b (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1776, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1776, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1776, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1776, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1776, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1776, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1776, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1776, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1776, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1776, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1776, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1776, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1776, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1776, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1776, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1776, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1776, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1776, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[165, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1776, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1776, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1776, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1776, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1776, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1776, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1776, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1776, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1776, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1776, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1776, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1776, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1776, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1776, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1776, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1776, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1776, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1776, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1771, "index-1", false]], "ccsd(t) correlation energy": [[1776, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1776, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1776, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1776, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1776, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1776, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1776, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1776, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1776, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1776, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1776, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1776, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1776, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1776, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1776, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1776, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1776, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1776, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1776, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1776, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1776, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1776, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1776, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1776, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1776, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1776, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1776, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1776, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[166, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[167, "psi4.core.cctriples", false]], "ccwavefunction (class in psi4.core)": [[11, "psi4.core.CCWavefunction", false]], "cdsalc (class in psi4.core)": [[15, "psi4.core.CdSalc", false]], "cdsalclist (class in psi4.core)": [[16, "psi4.core.CdSalcList", false]], "cdsalcs() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1771, "index-1", false]], "cepa(0) correlation energy": [[1776, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1776, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1776, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1776, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1776, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1776, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1776, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1776, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1776, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1776, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1776, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1776, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1776, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1776, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1776, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1776, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1776, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1776, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1776, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1776, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1776, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1776, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1776, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1776, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1776, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1776, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1704, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1704, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1704, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1704, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1704, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1704, "term-CEPA_TYPE-OCC", true]], "cfour": [[1743, "index-0", false]], "cfour error code": [[1776, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1704, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1704, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1704, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1704, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1704, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1704, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1704, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1704, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1704, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1704, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1704, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1704, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1704, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1704, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1704, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1704, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1704, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1704, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1704, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1704, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1704, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1704, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1704, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1704, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1704, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1704, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1704, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1704, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1704, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1704, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1704, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1704, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1704, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1704, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1704, "term-CFOUR_ECP-CFOUR", true]], "cfour_eigenvector (cfour)": [[1704, "term-CFOUR_EIGENVECTOR-CFOUR", true]], "cfour_el_anharm (cfour)": [[1704, "term-CFOUR_EL_ANHARM-CFOUR", true]], "cfour_eom_nonit (cfour)": [[1704, "term-CFOUR_EOM_NONIT-CFOUR", true]], "cfour_estate_conv (cfour)": [[1704, "term-CFOUR_ESTATE_CONV-CFOUR", true]], "cfour_estate_maxcyc (cfour)": [[1704, "term-CFOUR_ESTATE_MAXCYC-CFOUR", true]], "cfour_estate_prop (cfour)": [[1704, "term-CFOUR_ESTATE_PROP-CFOUR", true]], "cfour_estate_sym (cfour)": [[1704, "term-CFOUR_ESTATE_SYM-CFOUR", true]], "cfour_estate_trans (cfour)": [[1704, "term-CFOUR_ESTATE_TRANS-CFOUR", true]], "cfour_eval_hess (cfour)": [[1704, "term-CFOUR_EVAL_HESS-CFOUR", true]], "cfour_excitation (cfour)": [[1704, "term-CFOUR_EXCITATION-CFOUR", true]], "cfour_excite (cfour)": [[1704, "term-CFOUR_EXCITE-CFOUR", true]], "cfour_fc_field (cfour)": [[1704, "term-CFOUR_FC_FIELD-CFOUR", true]], "cfour_fd_calctype (cfour)": [[1704, "term-CFOUR_FD_CALCTYPE-CFOUR", true]], "cfour_fd_irreps (cfour)": [[1704, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1704, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1704, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1704, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1704, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1704, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1704, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1704, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1704, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1704, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1704, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1704, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1704, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1704, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1704, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1704, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1704, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1704, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1704, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1704, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1704, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1704, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1704, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1704, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1704, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1704, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1704, "term-CFOUR_INPUT_MRCC-CFOUR", true]], "cfour_integrals (cfour)": [[1704, "term-CFOUR_INTEGRALS-CFOUR", true]], "cfour_joda_print (cfour)": [[1704, "term-CFOUR_JODA_PRINT-CFOUR", true]], "cfour_lineq_conv (cfour)": [[1704, "term-CFOUR_LINEQ_CONV-CFOUR", true]], "cfour_lineq_maxcy (cfour)": [[1704, "term-CFOUR_LINEQ_MAXCY-CFOUR", true]], "cfour_lineq_type (cfour)": [[1704, "term-CFOUR_LINEQ_TYPE-CFOUR", true]], "cfour_lock_orbocc (cfour)": [[1704, "term-CFOUR_LOCK_ORBOCC-CFOUR", true]], "cfour_maxstep (cfour)": [[1704, "term-CFOUR_MAXSTEP-CFOUR", true]], "cfour_mem_unit (cfour)": [[1704, "term-CFOUR_MEM_UNIT-CFOUR", true]], "cfour_memory_size (cfour)": [[1704, "term-CFOUR_MEMORY_SIZE-CFOUR", true]], "cfour_method (cfour)": [[1704, "term-CFOUR_METHOD-CFOUR", true]], "cfour_mrcc (cfour)": [[1704, "term-CFOUR_MRCC-CFOUR", true]], "cfour_multiplicity (cfour)": [[1704, "term-CFOUR_MULTIPLICITY-CFOUR", true]], "cfour_nacoupling (cfour)": [[1704, "term-CFOUR_NACOUPLING-CFOUR", true]], "cfour_negeval (cfour)": [[1704, 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(psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.compute_points", false]], "compute_products() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.compute_products", false]], "compute_properties() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.compute_properties", false]], "compute_q() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.compute_Q", false]], "compute_qk() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.compute_Qk", false]], "compute_shell() (psi4.core.onebodyaoint method)": [[112, "psi4.core.OneBodyAOInt.compute_shell", false]], "compute_shell() (psi4.core.threecenteroverlapint method)": [[141, "psi4.core.ThreeCenterOverlapInt.compute_shell", false]], "compute_shell() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.compute_shell", false]], "compute_shell() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.compute_shell", false]], "compute_spin_contamination() (psi4.core.hf method)": [[84, "psi4.core.HF.compute_spin_contamination", false]], "compute_state_transfer() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.compute_state_transfer", false]], "compute_thc_factorization() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.compute_thc_factorization", false]], "compute_triples (fnocc)": [[1704, "term-COMPUTE_TRIPLES-FNOCC", true]], "compute_v() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_V", false]], "compute_vx() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_Vx", false]], "computed (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.computed", false]], "computed_shells_per_iter() (psi4.core.jk method)": [[92, "psi4.core.JK.computed_shells_per_iter", false]], "computeexternexterninteraction() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computeExternExternInteraction", false]], "computenuclearenergy() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computeNuclearEnergy", false]], "computepotentialmatrix() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computePotentialMatrix", false]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer", false]], "conda_prefix": [[1738, "index-20", false], [1738, "index-22", false], [1767, "envvar-CONDA_PREFIX", false]], "connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.connectivity", false]], "consecutive_backsteps (optking)": [[1704, "term-CONSECUTIVE_BACKSTEPS-OPTKING", true]], "constrained": [[1802, "index-2", false]], "construct_from_pydict() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.construct_from_pydict", false]], "contact": [[1781, "index-3", false]], "continuum solvation": [[1754, "index-0", false], [1803, "index-0", false]], "converged (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.converged", false]], "convergence criteria": [[1802, "index-3", false]], "convergenceerror": [[266, "psi4.driver.ConvergenceError", false]], "coord() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.coord", false]], "copy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.copy", false]], "copy() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.copy", false]], "copy() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy", false]], "copy() (psi4.core.vector method)": [[148, "psi4.core.Vector.copy", false]], "copy_file_from_scratch() (in module psi4.driver)": [[288, "psi4.driver.copy_file_from_scratch", false]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[339, "psi4.driver.p4util.copy_file_from_scratch", false]], "copy_file_to_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_to_scratch", false]], "copy_file_to_scratch() (in module psi4.driver.p4util)": [[340, "psi4.driver.p4util.copy_file_to_scratch", false]], "copy_lower_to_upper() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy_lower_to_upper", false]], "copy_upper_to_lower() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy_upper_to_lower", false]], "core_hamiltonian_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.core_hamiltonian_grad", false]], "corl_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.corl_xtpl_helgaker_2", false]], "corr_ansatz (psimrcc)": [[1704, "term-CORR_ANSATZ-PSIMRCC", true]], "corr_ccsd_t (psimrcc)": [[1704, "term-CORR_CCSD_T-PSIMRCC", true]], "corr_charge (psimrcc)": [[1704, "term-CORR_CHARGE-PSIMRCC", true]], "corr_multp (psimrcc)": [[1704, "term-CORR_MULTP-PSIMRCC", true]], "corr_wfn (psimrcc)": [[1704, "term-CORR_WFN-PSIMRCC", true]], "correlated (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Correlated", false]], "correlationfactor (class in psi4.core)": [[19, "psi4.core.CorrelationFactor", false]], "correlationtable (class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1754, "index-0", false]], "cosx_basis_tolerance (scf)": [[1704, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1704, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1704, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1704, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1704, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1704, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1704, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1704, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1704, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1704, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1833, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1794, "index-1", false]], "coupled_induction (sapt)": [[1704, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1704, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1704, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1704, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1794, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1794, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1776, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1704, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1704, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1704, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1704, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1749, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1738, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1738, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[108, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[101, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[290, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.Ct", false]], "cube": [[1750, "index-0", false]], "cubeprop": [[1750, "index-0", false]], "cubeprop() (in module psi4.driver)": [[291, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1704, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1704, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1704, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1704, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1704, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in psi4.core)": [[21, "psi4.core.CubeProperties", false]], "cubic_basis_tolerance (fisapt)": [[1704, "term-CUBIC_BASIS_TOLERANCE-FISAPT", true]], "cubic_basis_tolerance (globals)": [[1704, "term-CUBIC_BASIS_TOLERANCE-GLOBALS", true]], "cubic_block_max_points (fisapt)": [[1704, "term-CUBIC_BLOCK_MAX_POINTS-FISAPT", true]], "cubic_block_max_points (globals)": [[1704, "term-CUBIC_BLOCK_MAX_POINTS-GLOBALS", true]], "cubic_grid_overage (fisapt)": [[1704, "term-CUBIC_GRID_OVERAGE-FISAPT", true]], "cubic_grid_overage (globals)": [[1704, "term-CUBIC_GRID_OVERAGE-GLOBALS", true]], "cubic_grid_spacing (fisapt)": [[1704, "term-CUBIC_GRID_SPACING-FISAPT", true]], "cubic_grid_spacing (globals)": [[1704, "term-CUBIC_GRID_SPACING-GLOBALS", true]], "cuhf (class in psi4.core)": [[14, "psi4.core.CUHF", false]], "current correlation energy": [[1776, "psivar-CURRENT-CORRELATION-ENERGY", false]], "current dipole": [[1776, "psivar-CURRENT-DIPOLE", false]], "current dipole gradient": [[1776, "psivar-CURRENT-DIPOLE-GRADIENT", false]], "current energy": [[1776, "psivar-CURRENT-ENERGY", false]], "current gradient": [[1776, "psivar-CURRENT-GRADIENT", false]], "current hessian": [[1776, "psivar-CURRENT-HESSIAN", false]], "current reference energy": [[1776, "psivar-CURRENT-REFERENCE-ENERGY", false]], "current_afock() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_AFock", false]], "current_ci_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_ci_energy", false]], "current_docc_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_docc_energy", false]], "current_ifock() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_IFock", false]], "current_total_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_total_energy", false]], "custom scs-lccd correlation energy": [[1776, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1776, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1776, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1776, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1776, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1776, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1776, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1776, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1776, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1776, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1776, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1776, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "custom_coords (optking)": [[1704, "term-CUSTOM_COORDS-OPTKING", true]], "cutoff (dfocc)": [[1704, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1704, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1704, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[92, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1704, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1704, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1704, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1704, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1838, "index-2", false]], "damping_convergence (scf)": [[1704, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1704, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1704, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1704, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1704, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1704, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[84, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[147, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1752, "index-0", false], [1752, "index-3", false], [1752, "index-4", false], [1835, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1752, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1752, "index-0", false]], "db() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1776, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1776, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1776, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db_subset", false]], "dcalc() (psi4.core.civector method)": [[12, "psi4.core.CIVector.dcalc", false]], "dcopy() (in module psi4.core)": [[24, "psi4.core.DCOPY", false]], "dct": [[1753, "index-0", false]], "dct lambda energy": [[1776, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1776, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1776, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1776, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[173, "psi4.core.dct", false]], "dct_functional (dct)": [[1704, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1704, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1704, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1776, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1754, "index-0", false]], "ddx (globals)": [[1704, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1704, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1704, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1704, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1704, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1704, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1704, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1704, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1704, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1704, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1704, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1704, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1704, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1704, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1704, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1704, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1704, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1704, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1704, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1704, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1704, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1704, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1704, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1704, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1704, "term-DEBUG-CPHF", true]], "debug (globals)": [[1704, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1732, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[174, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[175, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[176, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1704, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1740, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1704, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1704, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1756, "index-0", false], [1771, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.density_tolerance", false]], "deriv (class in psi4.core)": [[61, "psi4.core.Deriv", false]], "deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.deriv", false]], "deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1704, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1704, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[80, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1776, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[177, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1704, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1771, "index-1", false]], "df-mp2": [[1756, "index-0", false], [1756, "index-1", false]], "df_basis_cc (fnocc)": [[1704, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1704, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1704, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1704, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1704, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1704, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1704, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1704, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1704, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1704, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1704, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1704, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1704, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1704, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1704, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1704, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1704, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1704, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1704, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1704, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1704, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1704, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1704, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1704, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1704, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[102, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[178, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1704, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1704, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1704, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[179, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1757, "index-0", false], [1758, "index-0", false], [1784, "index-0", false]], "dft dipole gradient": [[1776, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1776, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1776, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1776, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1776, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1776, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1776, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1704, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1704, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1704, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1704, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1704, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1704, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1704, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1704, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1704, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1704, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1704, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1704, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1704, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1704, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1704, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1704, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1704, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1704, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1704, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1704, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1704, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1704, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1704, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1704, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1704, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1704, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1704, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1704, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1704, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1704, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1704, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1704, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1704, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1704, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1759, "index-0", false]], "dftd4": [[1759, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1760, "index-0", false]], "dgbmv() (in module psi4.core)": [[31, "psi4.core.DGBMV", false]], "dgeev() (in module psi4.core)": [[32, "psi4.core.DGEEV", false]], "dgemm() (in module psi4.core)": [[33, "psi4.core.DGEMM", false]], "dgemv() (in module psi4.core)": [[34, "psi4.core.DGEMV", false]], "dger() (in module psi4.core)": [[35, "psi4.core.DGER", false]], "dgetrf() (in module psi4.core)": [[36, "psi4.core.DGETRF", false]], "dgetri() (in module psi4.core)": [[37, "psi4.core.DGETRI", false]], "dgetrs() (in module psi4.core)": [[38, "psi4.core.DGETRS", false]], "dhf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1704, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1704, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1704, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1704, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1838, "index-2", false]], "diis (ccenergy)": [[1704, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1704, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1704, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[321, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1704, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1704, "term-DIIS-MCSCF", true]], "diis (scf)": [[1704, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[84, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[128, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1704, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1704, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1704, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1704, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1704, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1704, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1704, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1704, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1704, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1704, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1704, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1704, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1704, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1704, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1704, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1704, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1704, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[148, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[148, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1704, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1704, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.dipole_grad", false]], "dipoleint (class in psi4.core)": [[65, "psi4.core.DipoleInt", false]], "directjk (class in psi4.core)": [[66, "psi4.core.DirectJK", false]], "disksomcscf (class in psi4.core)": [[67, "psi4.core.DiskSOMCSCF", false]], "disp (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1704, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1776, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1775, "index-0", false]], "distributed_matrix (scf)": [[1704, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1762, "index-0", false]], "dkh_order (globals)": [[1704, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[180, "psi4.core.dlpno", false]], "dlpno-mp2": [[1763, "index-0", false], [1763, "index-1", false]], "dlpno_algorithm (dlpno)": [[1704, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1704, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1704, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1775, "index-0", false]], "dma distributed multipoles": [[1776, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1776, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[181, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1776, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1776, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1704, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1704, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1704, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1704, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1704, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1704, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1704, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1704, "term-DMRG_IRREP-DMRG", true]], 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"dmrg_sweep_max_sweeps (dmrg)": [[1704, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1704, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1704, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1704, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], "do_ccd_disp (sapt)": [[1704, "term-DO_CCD_DISP-SAPT", true]], "do_cubes() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.do_cubes", false]], "do_diis (dfocc)": [[1704, "term-DO_DIIS-DFOCC", true]], "do_diis (occ)": [[1704, "term-DO_DIIS-OCC", true]], "do_disp_exch_sinf (sapt)": [[1704, "term-DO_DISP_EXCH_SINF-SAPT", true]], "do_incfock_iter() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.do_incfock_iter", false]], "do_incfock_iter() (psi4.core.directjk method)": [[66, "psi4.core.DirectJK.do_incfock_iter", false]], "do_ind30_exch_sinf (sapt)": [[1704, "term-DO_IND30_EXCH_SINF-SAPT", 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false], [1808, "index-0", false], [1808, "index-1", false], [1827, "index-2", false], [1827, "index-3", false], [1835, "index-1", false]], "eom_guess (cceom)": [[1704, "term-EOM_GUESS-CCEOM", true]], "eom_reference (cceom)": [[1704, "term-EOM_REFERENCE-CCEOM", true]], "eom_reference (cchbar)": [[1704, "term-EOM_REFERENCE-CCHBAR", true]], "ep2_convergence (dfep2)": [[1704, "term-EP2_CONVERGENCE-DFEP2", true]], "ep2_maxiter (dfep2)": [[1704, "term-EP2_MAXITER-DFEP2", true]], "ep2_num_ea (dfep2)": [[1704, "term-EP2_NUM_EA-DFEP2", true]], "ep2_num_ip (dfep2)": [[1704, "term-EP2_NUM_IP-DFEP2", true]], "ep2_orbitals (dfep2)": [[1704, "term-EP2_ORBITALS-DFEP2", true]], "ep_ea_poles (occ)": [[1704, "term-EP_EA_POLES-OCC", true]], "ep_ip_poles (occ)": [[1704, "term-EP_IP_POLES-OCC", true]], "ep_maxiter (occ)": [[1704, "term-EP_MAXITER-OCC", true]], "epsilon_a() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.epsilon_a", false]], "epsilon_a_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.epsilon_a_subset", false]], "epsilon_b() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.epsilon_b", false]], "epsilon_b_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.epsilon_b_subset", false]], "erd_coef() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.erd_coef", false]], "erf_complement_eri() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.erf_complement_eri", false]], "erf_eri() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.erf_eri", false]], "eri (class in psi4.core)": [[69, "psi4.core.ERI", false]], "eri() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.eri", false]], "esp at center n": [[1776, "psivar-ESP-AT-CENTER-n", false]], "esp_at_nuclei() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.esp_at_nuclei", false]], "esppropcalc (class in psi4.core)": [[70, "psi4.core.ESPPropCalc", false]], "evals() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.evals", false]], "ex_allow (detci)": [[1704, "term-EX_ALLOW-DETCI", true]], "ex_level (detci)": [[1704, "term-EX_LEVEL-DETCI", true]], "exch() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.exch", false]], "exch_scale_alpha (sapt)": [[1704, "term-EXCH_SCALE_ALPHA-SAPT", true]], "excitation_range (cceom)": [[1704, "term-EXCITATION_RANGE-CCEOM", true]], "exists() (psi4.core.io method)": [[86, "psi4.core.IO.exists", false]], "exp() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.exp", false]], "expand_cbs_methods() (in module psi4.driver.task_planner)": [[1768, "psi4.driver.task_planner.expand_cbs_methods", false]], "expand_psivars() (in module psi4.driver.p4util)": [[346, "psi4.driver.p4util.expand_psivars", false]], "explicit_hamiltonian (cphf)": [[1704, "term-EXPLICIT_HAMILTONIAN-CPHF", true]], "exponent() (psi4.core.fittedslatercorrelationfactor method)": [[77, "psi4.core.FittedSlaterCorrelationFactor.exponent", false]], "ext_force_bend (optking)": [[1704, "term-EXT_FORCE_BEND-OPTKING", true]], "ext_force_cartesian (optking)": [[1704, "term-EXT_FORCE_CARTESIAN-OPTKING", true]], "ext_force_dihedral (optking)": [[1704, "term-EXT_FORCE_DIHEDRAL-OPTKING", true]], "ext_force_distance (optking)": [[1704, "term-EXT_FORCE_DISTANCE-OPTKING", true]], "ext_force_oofp (optking)": [[1704, "term-EXT_FORCE_OOFP-OPTKING", true]], "extend() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.extend", false]], "extern (scf)": [[1704, "term-EXTERN-SCF", true]], "external_pot() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.external_pot", false]], "external_potential_symmetry (globals)": [[1704, "term-EXTERNAL_POTENTIAL_SYMMETRY-GLOBALS", true]], "externalpotential (class in psi4.core)": [[73, "psi4.core.ExternalPotential", false]], "extract_subsets() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.extract_subsets", false]], "extrapolate() (psi4.driver.p4util.diis method)": [[321, "psi4.driver.p4util.DIIS.extrapolate", false]], "extrapolation": [[1740, "index-3", false]], "extrapolation schemes": [[1740, "index-3", false]], "exvals() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.Exvals", false]], "eyvals() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.Eyvals", false]], "ezvals() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.Ezvals", false]], "f12() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.f12", false]], "f12_cgtg() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.f12_cgtg", false]], "f12_double_commutator() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.f12_double_commutator", false]], "f12_squared() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.f12_squared", false]], "f12g12() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.f12g12", false]], "f_cut (dlpno)": [[1704, "term-F_CUT-DLPNO", true]], "fa() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fa", false]], "fa_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fa_subset", false]], "factory() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.factory", false]], "fail_on_maxiter (scf)": [[1704, "term-FAIL_ON_MAXITER-SCF", true]], "failure (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Failure", false]], "favg (mcscf)": [[1704, "term-FAVG-MCSCF", true]], "favg_ccsd_t (psimrcc)": [[1704, "term-FAVG_CCSD_T-PSIMRCC", true]], "favg_start (mcscf)": [[1704, "term-FAVG_START-MCSCF", true]], "fb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fb", false]], "fb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fb_subset", false]], "fcharge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fcharge", false]], "fchk": [[1769, "index-0", false]], "fchk() (in module psi4.driver)": [[296, "psi4.driver.fchk", false]], "fchkwriter (class in psi4.core)": [[74, "psi4.core.FCHKWriter", false]], "fci (detci)": [[1704, "term-FCI-DETCI", true]], "fci correlation energy": [[1776, "psivar-FCI-CORRELATION-ENERGY", false]], "fci total energy": [[1776, "psivar-FCI-TOTAL-ENERGY", false]], "fci_strings (detci)": [[1704, "term-FCI_STRINGS-DETCI", true]], "fcidump() (in module psi4.driver)": [[297, "psi4.driver.fcidump", false]], "fcidump() (in module psi4.driver.p4util)": [[347, "psi4.driver.p4util.fcidump", false]], "fcidump_from_file() (in module psi4.driver)": [[298, "psi4.driver.fcidump_from_file", false]], "fcidump_from_file() (in module psi4.driver.p4util)": [[348, "psi4.driver.p4util.fcidump_from_file", false]], "fcidump_tei_helper() (in module psi4.core)": [[187, "psi4.core.fcidump_tei_helper", false]], "fctl dispersion correction energy": [[1776, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", false]], "fctldash (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.fctldash", false]], "fctldash (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.fctldash", false]], "fd_project (findif)": [[1704, "term-FD_PROJECT-FINDIF", true]], "fdds_dispersion (class in psi4.core)": [[75, "psi4.core.FDDS_Dispersion", false]], "fdisp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.fdisp", false]], "felst() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.felst", false]], "fexch() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.fexch", false]], "fill() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.fill", false]], "filter_guess (detci)": [[1704, "term-FILTER_GUESS-DETCI", true]], "filter_guess_det1 (detci)": [[1704, "term-FILTER_GUESS_DET1-DETCI", true]], "filter_guess_det2 (detci)": [[1704, "term-FILTER_GUESS_DET2-DETCI", true]], "filter_guess_sign (detci)": [[1704, "term-FILTER_GUESS_SIGN-DETCI", true]], "filter_nonvib() (in module psi4.driver.qcdb.vib)": [[384, "psi4.driver.qcdb.vib.filter_nonvib", false]], "filter_omega_to_real() (in module psi4.driver.qcdb.vib)": [[385, "psi4.driver.qcdb.vib.filter_omega_to_real", false]], "filter_zero_det (detci)": [[1704, "term-FILTER_ZERO_DET-DETCI", true]], "finalize() (in module psi4.core)": [[188, "psi4.core.finalize", false]], "finalize() (psi4.core.hf method)": [[84, "psi4.core.HF.finalize", false]], "finalize() (psi4.core.jk method)": [[92, "psi4.core.JK.finalize", false]], "finalize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.finalize", false]], "finalize_energy() (psi4.core.hf method)": [[84, "psi4.core.HF.finalize_energy", false]], "find() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.find", false]], "find_approximate_string_matches() (in module psi4.driver)": [[299, "psi4.driver.find_approximate_string_matches", false]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[349, "psi4.driver.p4util.find_approximate_string_matches", false]], "find_highest_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.find_highest_point_group", false]], "find_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.find_occupation", false]], "find_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.find_point_group", false]], "findif number": [[1776, "psivar-FINDIF-NUMBER", false]], "findifrec (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.findifrec", false]], "first() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.first", false]], "fisapt": [[1770, "index-0", false]], "fisapt (class in psi4.core)": [[76, "psi4.core.FISAPT", false]], "fisapt_charge_completeness (fisapt)": [[1704, "term-FISAPT_CHARGE_COMPLETENESS-FISAPT", true]], "fisapt_cube_densmat (fisapt)": [[1704, "term-FISAPT_CUBE_DENSMAT-FISAPT", true]], "fisapt_cube_linkibos (fisapt)": [[1704, "term-FISAPT_CUBE_LINKIBOS-FISAPT", true]], "fisapt_cube_linkihos (fisapt)": [[1704, "term-FISAPT_CUBE_LINKIHOS-FISAPT", true]], "fisapt_do_fsapt (fisapt)": [[1704, "term-FISAPT_DO_FSAPT-FISAPT", true]], "fisapt_do_fsapt_disp (fisapt)": [[1704, "term-FISAPT_DO_FSAPT_DISP-FISAPT", true]], "fisapt_do_plot (fisapt)": [[1704, "term-FISAPT_DO_PLOT-FISAPT", true]], "fisapt_exch_parperp (fisapt)": [[1704, "term-FISAPT_EXCH_PARPERP-FISAPT", true]], "fisapt_fsapt_exch_scale (fisapt)": [[1704, "term-FISAPT_FSAPT_EXCH_SCALE-FISAPT", true]], "fisapt_fsapt_filepath (fisapt)": [[1704, "term-FISAPT_FSAPT_FILEPATH-FISAPT", true]], "fisapt_fsapt_ind_response (fisapt)": [[1704, "term-FISAPT_FSAPT_IND_RESPONSE-FISAPT", true]], "fisapt_fsapt_ind_scale (fisapt)": [[1704, "term-FISAPT_FSAPT_IND_SCALE-FISAPT", true]], "fisapt_fssapt_filepath (fisapt)": [[1704, "term-FISAPT_FSSAPT_FILEPATH-FISAPT", true]], "fisapt_link_assignment (fisapt)": [[1704, "term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1704, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1704, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1704, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1704, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1704, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[77, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[78, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1704, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[189, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1771, "index-0", false]], "fno-ccsd(t)": [[1771, "index-1", false]], "fno-mp4": [[1771, "index-1", false]], "fno-qcisd(t)": [[1771, "index-1", false]], "fnocc": [[1771, "index-2", false], [1771, "index-3", false]], "fnocc() (in module psi4.core)": [[190, "psi4.core.fnocc", false]], "follow_root (detci)": [[1704, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1704, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1704, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1704, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1704, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1704, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1704, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1704, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[84, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[84, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[84, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_F", false]], "form_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_opdm", false]], "form_qr_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.form_symmetry_information", false]], "form_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_tpdm", false]], "form_unc_amplitude() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[84, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1704, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1704, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1704, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1704, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[84, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1704, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1704, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1704, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1704, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[79, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_all_dihedrals (optking)": [[1704, "term-FREEZE_ALL_DIHEDRALS-OPTKING", true]], "freeze_core (globals)": [[1704, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1704, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1704, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1704, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1704, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1772, "index-0", false]], "freq() (in module psi4.driver)": [[300, "psi4.driver.freq", false]], "frequencies()": [[1772, "index-0", false]], "frequencies() (in module psi4.driver)": [[301, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1772, "index-0", false]], "frequency() (in module psi4.driver)": [[302, "psi4.driver.frequency", false]], "frequency();": [[1772, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[106, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.from_file", false]], "from_list() (psi4.core.dimension class method)": [[64, "psi4.core.Dimension.from_list", false]], "from_list() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1771, "index-0", false]], "frozen natural orbitals": [[1771, "index-1", false]], "frozen_bend (optking)": [[1704, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1704, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1704, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1704, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1704, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1704, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1704, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1704, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1704, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1772, "index-0", false], [1800, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.function_index", false]], "function_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_center", false]], "function_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_shell", false]], "functional (class in psi4.core)": [[80, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[84, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[147, "psi4.core.VBase.functional", false]], "functionals": [[1784, "index-0", false]], "functions_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.functions_local_to_global", false]], "fx() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fZ", false], [106, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1704, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1773, "index-0", false]], "gauge (adc)": [[1704, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1704, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1704, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1769, "index-0", false]], "gaussianshell (class in psi4.core)": [[81, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[82, "psi4.core.GaussianType", false]], "gcp": [[1774, "index-0", false]], "gdma": [[1775, "index-0", false]], "gdma() (in module psi4.driver)": [[303, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1704, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1704, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1704, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1704, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1704, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1832, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1704, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1800, "index-0", false], [1802, "index-1", false], [1802, "index-2", false], [1802, "index-3", false], [1802, "index-4", false]], "geometry optimization, optimization": [[1802, "index-0", false]], "geometry() (in module psi4.driver)": [[304, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[83, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[148, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[191, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_algorithm", false]], "get_amplitudes() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.get_amplitudes", false]], "get_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_core", false]], "get_ao_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_size", false]], "get_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[192, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[193, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[114, "psi4.core.Options.get_bool", false]], "get_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_COSX_grid", false]], "get_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[194, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_density", false]], "get_dimension() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_dimension", false]], "get_dipole_field_strength() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[114, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[195, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[196, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[114, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[114, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[197, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[198, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[305, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.get_memory", false]], "get_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_memory", false]], "get_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_memory", false]], "get_method() 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"get_options() (in module psi4.core)": [[201, "psi4.core.get_options", false]], "get_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_orbitals", false]], "get_output_file() (in module psi4.core)": [[202, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_reverse_pivots", false]], "get_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_schwarz_cutoff", false]], "get_scratch_filename() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_snlink_max_am() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_snLinK_max_am", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[114, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_tei_already_presorted", false]], "get_tensor() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor", false]], "get_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.get_tensor_pqQ", false]], "get_tensor_shape() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_shape", false]], "get_tensor_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_size", false]], "get_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_tpdm", false]], "get_variable() (in module psi4.core)": [[203, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[204, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[205, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[86, "psi4.core.IO.getpid", false]], "ghost": [[1833, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1833, "index-3", false]], "gibbs free energy": [[1776, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1776, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[206, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1800, "index-0", false]], "gradient() (in module psi4.driver)": [[306, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1704, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1776, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1776, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1776, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[147, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1704, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[84, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1704, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1704, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1704, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1704, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1704, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1704, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1704, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1704, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1704, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1704, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1704, "term-H_UPDATE_DEN_TOL-OPTKING", true]], "hamiltonian() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.hamiltonian", false]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1843, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1838, "index-0", false]], "has_array_variable() (in module psi4.core)": [[207, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_array_variable", false]], "has_ecp() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_ECP", false]], "has_global_option_changed() (in module psi4.core)": [[208, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[209, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[210, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_potential_variable", false]], "has_puream() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_puream", false]], "has_scalar_variable() (in module psi4.core)": [[211, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[212, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1704, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1704, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1704, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1704, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1704, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1704, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1704, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1704, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1704, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1704, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1772, "index-0", false]], "hessian() (in module psi4.driver)": [[307, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1704, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1838, "index-0", false]], "hf (class in psi4.core)": [[84, "psi4.core.HF", false]], "hf dipole gradient": [[1776, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1776, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1776, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1776, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1776, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1776, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1776, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1837, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hold_options_state", false]], "host": [[1738, "index-21", false], [1738, "index-23", false], [1767, "envvar-HOST", false]], "i() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.i", false]], "icore (detci)": [[1704, "term-ICORE-DETCI", true]], "id() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.id", false]], "idamax() (in module psi4.core)": [[85, "psi4.core.IDAMAX", false]], "identity() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.identity", false]], "idfmo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Idfmo", false]], "imo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Imo", false]], "import_ignorecase() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.import_ignorecase", false]], "incfock (scf)": [[1704, "term-INCFOCK-SCF", true]], "incfock_convergence (scf)": [[1704, "term-INCFOCK_CONVERGENCE-SCF", true]], "incfock_full_fock_every (scf)": [[1704, "term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1704, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[148, "psi4.core.Vector.init", false]], "init_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.init_io_files", false]], "initialize() (in module psi4.core)": [[213, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[92, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1738, "index-0", false]], "intcos_generate_exit (optking)": [[1704, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integral", false]], "integral() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.integral", false]], "integral_cutoff (dfocc)": [[1704, "term-INTEGRAL_CUTOFF-DFOCC", true]], "integral_package (globals)": [[1704, "term-INTEGRAL_PACKAGE-GLOBALS", true]], "integralfactory (class in psi4.core)": [[89, "psi4.core.IntegralFactory", false]], "integrals": [[1783, "index-0", false], [1839, "index-0", false]], "integrals() 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[[1704, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1704, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1704, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1704, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1704, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1704, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1704, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1704, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1704, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[88, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[86, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[87, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[88, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1704, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[308, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1768, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1802, "index-2", false]], "irc_direction (optking)": [[1704, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1704, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1704, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[91, "psi4.core.IrreducibleRepresentation", false]], "irrep() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep", false]], "irrep_index() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep_index", false]], "irrep_labels() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_cartesian", false]], "is_done() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.is_done", false]], "is_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_poisson", false]], "is_pure() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_pure", false]], "is_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.is_variable", false]], "is_x_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_x_hybrid", false]], "is_x_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_x_lrc", false]], "isa": [[1799, "index-1", false]], "isotope": [[1833, "index-4", false]], "isotopes": [[1833, "index-4", false]], "isotropic_pol (pe)": [[1704, "term-ISOTROPIC_POL-PE", true]], "istop (detci)": [[1704, "term-ISTOP-DETCI", true]], "iteration (psi4.driver.convergenceerror attribute)": [[266, "psi4.driver.ConvergenceError.iteration", false]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.iteration", false]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.iteration", false]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.iteration", false]], "iteration_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.iteration_", false]], "iteration_energies (psi4.core.hf attribute)": [[84, "psi4.core.HF.iteration_energies", false]], "iterations() (psi4.core.hf method)": [[84, "psi4.core.HF.iterations", false]], "j() (psi4.core.jk method)": [[92, "psi4.core.JK.J", false]], "jk (class in psi4.core)": [[92, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[84, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1704, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[92, "psi4.core.JK.K", false]], "keywords": [[1740, "index-0", false], [1752, "index-0", false], [1761, "index-0", false], [1766, "index-0", false], [1772, "index-0", false], [1794, "index-1", false], [1800, "index-0", false], [1826, "index-0", false], [1832, "index-2", false], [1833, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1704, "term-KIND-ADC", true]], "kinetic() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.kinetic", false]], "kinetic_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.kinetic_grad", false]], "kineticint (class in psi4.core)": [[93, "psi4.core.KineticInt", false]], "kwargs_lower() (in module psi4.driver.p4util)": [[359, "psi4.driver.p4util.kwargs_lower", false]], "l (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.L", false]], "label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.label", false]], "label() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.label", false]], "lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.lagrangian", false]], "laplacedenominator (class in psi4.core)": [[95, "psi4.core.LaplaceDenominator", false]], "lcc2 (+lmp2) total energy": [[1776, "psivar-LCC2-LMP2-TOTAL-ENERGY", false]], "lccd correlation energy": [[1776, "psivar-LCCD-CORRELATION-ENERGY", false]], "lccd doubles energy": [[1776, "psivar-LCCD-DOUBLES-ENERGY", false]], "lccd opposite-spin correlation energy": [[1776, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1776, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1776, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1776, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1771, "index-1", false]], "lccsd (+lmp2) total energy": [[1776, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd correlation energy": [[1776, "psivar-LCCSD-CORRELATION-ENERGY", false]], "lccsd doubles energy": [[1776, "psivar-LCCSD-DOUBLES-ENERGY", false]], "lccsd opposite-spin correlation energy": [[1776, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccsd same-spin correlation energy": [[1776, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccsd singles energy": [[1776, "psivar-LCCSD-SINGLES-ENERGY", false]], "lccsd total energy": [[1776, "psivar-LCCSD-TOTAL-ENERGY", false]], "left-right cc2 eigenvector overlap": [[1776, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", false]], "left-right cc3 eigenvector overlap": [[1776, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", false]], "left-right ccsd eigenvector overlap": [[1776, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", false]], "left-right ccsd(t) eigenvector overlap": [[1776, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", false]], "level_shift (dfocc)": [[1704, "term-LEVEL_SHIFT-DFOCC", true]], "level_shift (mcscf)": [[1704, "term-LEVEL_SHIFT-MCSCF", true]], "level_shift (occ)": [[1704, "term-LEVEL_SHIFT-OCC", true]], "level_shift (scf)": [[1704, "term-LEVEL_SHIFT-SCF", true]], "level_shift_cutoff (scf)": [[1704, "term-LEVEL_SHIFT_CUTOFF-SCF", true]], "levenshtein() (in module psi4.driver)": [[309, "psi4.driver.levenshtein", false]], "levenshtein() (in module psi4.driver.p4util)": [[360, "psi4.driver.p4util.levenshtein", false]], "libecpint": [[1765, "index-0", false]], "libefp": [[1782, "index-0", false]], "libint": [[1783, "index-0", false]], "libint2_configuration() (in module psi4.driver)": [[310, "psi4.driver.libint2_configuration", false]], "libint2_configuration() (in module psi4.driver.p4util)": [[361, "psi4.driver.p4util.libint2_configuration", false]], "libint2_print_out() (in module psi4.driver)": [[311, "psi4.driver.libint2_print_out", false]], "libint2_print_out() (in module psi4.driver.p4util)": [[362, "psi4.driver.p4util.libint2_print_out", false]], "libint2_solid_harmonics_ordering() (in module psi4.core)": [[214, "psi4.core.libint2_solid_harmonics_ordering", false]], "library fragments": [[1782, "index-1", false], [1782, "index-5", false]], "libxc": [[1784, "index-0", false]], "libxcfunctional (class in psi4.core)": [[96, "psi4.core.LibXCFunctional", false]], "license": [[1781, "index-2", false]], "light (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light", false]], "light_color (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light_color", false]], "linear (ccresponse)": [[1704, "term-LINEAR-CCRESPONSE", true]], "lineq_solver (dfocc)": [[1704, "term-LINEQ_SOLVER-DFOCC", true]], "lineshape (class in psi4.driver.p4util)": [[324, "psi4.driver.p4util.Lineshape", false]], "lineshape() (psi4.driver.p4util.gaussian method)": [[322, "psi4.driver.p4util.Gaussian.lineshape", false]], "lineshape() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.lineshape", false]], "lineshape() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.lineshape", false]], "link_ints_tolerance (scf)": [[1704, "term-LINK_INTS_TOLERANCE-SCF", true]], "literal_cfour (globals)": [[1704, "term-LITERAL_CFOUR-GLOBALS", true]], "load() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.load", false]], "load() (psi4.core.vector method)": [[148, "psi4.core.Vector.load", false]], "load_mpqc() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.load_mpqc", false]], "local (ccenergy)": [[1704, "term-LOCAL-CCENERGY", true]], "local (cceom)": [[1704, "term-LOCAL-CCEOM", true]], "local (cclambda)": [[1704, "term-LOCAL-CCLAMBDA", true]], "local (ccresponse)": [[1704, "term-LOCAL-CCRESPONSE", true]], "local_convergence (dlpno)": [[1704, "term-LOCAL_CONVERGENCE-DLPNO", true]], "local_convergence (fisapt)": [[1704, "term-LOCAL_CONVERGENCE-FISAPT", true]], "local_convergence (scf)": [[1704, "term-LOCAL_CONVERGENCE-SCF", true]], "local_cphf_cutoff (ccenergy)": [[1704, "term-LOCAL_CPHF_CUTOFF-CCENERGY", true]], "local_cphf_cutoff (cclambda)": [[1704, "term-LOCAL_CPHF_CUTOFF-CCLAMBDA", true]], "local_cphf_cutoff (ccresponse)": [[1704, "term-LOCAL_CPHF_CUTOFF-CCRESPONSE", true]], "local_cutoff (ccenergy)": [[1704, "term-LOCAL_CUTOFF-CCENERGY", true]], "local_cutoff (cceom)": [[1704, "term-LOCAL_CUTOFF-CCEOM", true]], "local_cutoff (cclambda)": [[1704, "term-LOCAL_CUTOFF-CCLAMBDA", true]], "local_cutoff (ccresponse)": [[1704, "term-LOCAL_CUTOFF-CCRESPONSE", true]], "local_do_singles (cceom)": [[1704, "term-LOCAL_DO_SINGLES-CCEOM", true]], "local_filter_singles (cceom)": [[1704, "term-LOCAL_FILTER_SINGLES-CCEOM", true]], "local_filter_singles (cclambda)": [[1704, "term-LOCAL_FILTER_SINGLES-CCLAMBDA", true]], "local_filter_singles (ccresponse)": [[1704, "term-LOCAL_FILTER_SINGLES-CCRESPONSE", true]], "local_ibo_condition (fisapt)": [[1704, "term-LOCAL_IBO_CONDITION-FISAPT", true]], "local_ibo_power (fisapt)": [[1704, "term-LOCAL_IBO_POWER-FISAPT", true]], "local_ibo_stars (fisapt)": [[1704, "term-LOCAL_IBO_STARS-FISAPT", true]], "local_ibo_stars_completeness (fisapt)": [[1704, "term-LOCAL_IBO_STARS_COMPLETENESS-FISAPT", true]], "local_ibo_use_stars (fisapt)": [[1704, "term-LOCAL_IBO_USE_STARS-FISAPT", true]], "local_maxiter (dlpno)": [[1704, "term-LOCAL_MAXITER-DLPNO", true]], "local_maxiter (fisapt)": [[1704, "term-LOCAL_MAXITER-FISAPT", true]], "local_maxiter (scf)": [[1704, "term-LOCAL_MAXITER-SCF", true]], "local_method (ccenergy)": [[1704, 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false]], "maximum() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.maximum", false]], "maximum() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.maximum", false]], "maxiter (adc)": [[1704, "term-MAXITER-ADC", true]], "maxiter (ccenergy)": [[1704, "term-MAXITER-CCENERGY", true]], "maxiter (cceom)": [[1704, "term-MAXITER-CCEOM", true]], "maxiter (cclambda)": [[1704, "term-MAXITER-CCLAMBDA", true]], "maxiter (ccresponse)": [[1704, "term-MAXITER-CCRESPONSE", true]], "maxiter (dct)": [[1704, "term-MAXITER-DCT", true]], "maxiter (fisapt)": [[1704, "term-MAXITER-FISAPT", true]], "maxiter (fnocc)": [[1704, "term-MAXITER-FNOCC", true]], "maxiter (mcscf)": [[1704, "term-MAXITER-MCSCF", true]], "maxiter (pe)": [[1704, "term-MAXITER-PE", true]], "maxiter (psimrcc)": [[1704, "term-MAXITER-PSIMRCC", true]], "maxiter (sapt)": [[1704, "term-MAXITER-SAPT", true]], "maxiter (scf)": [[1704, "term-MAXITER-SCF", true]], "maxr() 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"term-MBIS_PRUNING_SCHEME-GLOBALS", true]], "mbis_radial_points (globals)": [[1704, "term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1704, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1789, "index-0", false], [1789, "index-1", false]], "mcscf total energy": [[1776, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[215, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1704, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1704, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type (detci)": [[1704, "term-MCSCF_DIIS_ERROR_TYPE-DETCI", true]], "mcscf_diis_freq (detci)": [[1704, "term-MCSCF_DIIS_FREQ-DETCI", true]], "mcscf_diis_max_vecs (detci)": [[1704, "term-MCSCF_DIIS_MAX_VECS-DETCI", true]], "mcscf_diis_start (detci)": [[1704, "term-MCSCF_DIIS_START-DETCI", true]], "mcscf_dpd_cleanup (detci)": [[1704, "term-MCSCF_DPD_CLEANUP-DETCI", true]], "mcscf_e_convergence (detci)": [[1704, 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false]], "mofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFeff", false]], "mograd_damping (occ)": [[1704, "term-MOGRAD_DAMPING-OCC", true]], "molden": [[1791, "index-0", false]], "molden() (in module psi4.driver)": [[314, "psi4.driver.molden", false]], "molden_with_virtual (globals)": [[1704, "term-MOLDEN_WITH_VIRTUAL-GLOBALS", true]], "molden_write (dfocc)": [[1704, "term-MOLDEN_WRITE-DFOCC", true]], "molden_write (scf)": [[1704, "term-MOLDEN_WRITE-SCF", true]], "moldenwriter (class in psi4.core)": [[104, "psi4.core.MoldenWriter", false]], "molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.molecular_charge", false]], "moleculargrid (class in psi4.core)": [[105, "psi4.core.MolecularGrid", false]], "molecule": [[1782, "index-4", false], [1833, "index-0", false], [1833, "index-1", false], [1833, "index-2", false], [1833, "index-3", false], [1833, "index-4", false], [1833, "index-5", false], [1833, "index-7", false]], "molecule (class in psi4.core)": [[106, "psi4.core.Molecule", false]], "molecule (class in psi4.driver.qcdb)": [[1768, "psi4.driver.qcdb.Molecule", false]], "molecule (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.molecule", false]], "molecule (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.molecule", false]], "molecule (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.molecule", false]], "molecule (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.molecule", false]], "molecule specification": [[1782, "index-4", false]], "molecule() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.molecule", false]], "molecule() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.molecule", false]], "molecule() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.molecule", false]], "molecule_get_attr() (in module psi4.driver)": [[315, "psi4.driver.molecule_get_attr", false]], "molecule_set_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_set_attr", false]], "mom": [[1838, "index-2", false]], "mom_excited_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.MOM_excited_", false]], "mom_occ (scf)": [[1704, "term-MOM_OCC-SCF", true]], "mom_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.MOM_performed_", false]], "mom_start (scf)": [[1704, "term-MOM_START-SCF", true]], "mom_vir (scf)": [[1704, "term-MOM_VIR-SCF", true]], "montage": [[1750, "envvar-MONTAGE", false], [1750, "index-2", false]], "mospace (class in psi4.core)": [[98, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[99, "psi4.core.MOWriter", false]], "mp2": [[1756, "index-0", false]], "mp2 alpha-alpha pair energies": [[1776, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1776, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1776, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1776, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1776, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1776, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1776, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1776, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1776, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1776, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1776, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1776, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1776, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1776, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1776, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1776, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1776, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1776, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1776, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1776, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1704, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1704, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1704, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1704, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1704, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1704, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1704, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1704, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1704, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1704, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1704, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1704, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1704, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1704, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1704, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1704, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1704, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1704, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1704, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1776, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1776, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1776, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1776, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1776, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1776, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1771, "index-1", false]], "mp4 correlation energy": [[1776, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1776, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1776, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1776, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1776, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1776, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1776, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1704, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1704, "term-MPN-DETCI", true]], "mpn correlation energy": [[1776, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1776, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1704, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1704, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1704, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1792, "index-0", false]], "mrcc total energy": [[1776, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[216, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1704, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[217, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1704, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1704, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1704, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1704, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1704, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1704, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1776, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1704, "term-MS0-DETCI", true]], "mtd 128-pole": [[1776, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1776, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1776, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1776, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1776, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1776, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1776, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1776, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1789, "index-2", false]], "multiple fragments": [[1833, "index-7", false]], "multiple in input file": [[1833, "index-1", false]], "multiple within molecule": [[1730, "index-1", false]], "multiplicity": [[1833, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[107, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[108, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1829, "index-0", false]], "n() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.n", false]], "n() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.n", false]], "n_ecp_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_core", false]], "n_ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_shell_on_center", false]], "n_frozen_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_frozen_core", false]], "nablaint (class in psi4.core)": [[109, "psi4.core.NablaInt", false]], "nallatom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nallatom", false]], "nalpha() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalpha", false]], "nalphapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalphapi", false]], "name (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.name", false]], "name (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.name", false]], "name (psi4.core.dimension attribute)": [[64, "psi4.core.Dimension.name", false]], "name (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[88, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[148, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.name", false]], "name() (psi4.core.functional method)": [[80, "psi4.core.Functional.name", false]], "name() (psi4.core.jk method)": [[92, "psi4.core.JK.name", false]], "name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.name", false]], "name() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.name", false]], "name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.name", false]], "name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.name", false]], "nao() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nao", false]], "nat_orbs (detci)": [[1704, "term-NAT_ORBS-DETCI", true]], "nat_orbs (dfocc)": [[1704, "term-NAT_ORBS-DFOCC", true]], "nat_orbs (fnocc)": [[1704, "term-NAT_ORBS-FNOCC", true]], "nat_orbs (occ)": [[1704, "term-NAT_ORBS-OCC", true]], "nat_orbs_t2 (sapt)": [[1704, "term-NAT_ORBS_T2-SAPT", true]], "nat_orbs_t3 (sapt)": [[1704, "term-NAT_ORBS_T3-SAPT", true]], "nat_orbs_v4 (sapt)": [[1704, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1776, "psivar-NAUX-CC", false]], "naux (scf)": [[1776, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[147, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1776, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1776, "psivar-NBODY-NUMBER", false]], "nbody() (in module psi4.driver.driver_nbody)": [[1794, "psi4.driver.driver_nbody.nbody", false]], "ncartesian (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.ncartesian", false]], "ncd() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.ncd", false]], "ncenter (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.ncenter", false]], "ndet() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.ndet", false]], "needs_grac() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_grac", false]], "needs_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_vv10", false]], "needs_xc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_xc", false]], "new_civector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.new_civector", false]], "new_triples (ccenergy)": [[1704, "term-NEW_TRIPLES-CCENERGY", true]], "new_triples (cceom)": [[1704, "term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.new_vector", false]], "next() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.next", false]], "nfragments (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nfragments", false]], "nfrzc() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nfrzc", false]], "nfunction (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.nfunction", false]], "ngamma() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.ngamma", false]], "nil() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.nil", false]], "nirrep() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.nirrep", false]], "nirrep() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.nirrep", false]], "nirrep() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.nirrep", false]], "nirrep() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.nirrep", false]], "nirrep() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.nirrep", false]], "nirrep() (psi4.core.vector method)": [[148, "psi4.core.Vector.nirrep", false]], "nirrep() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nirrep", false]], "nl_dispersion_parameters (scf)": [[1704, "term-NL_DISPERSION_PARAMETERS-SCF", true]], "nmo() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nmo", false]], "nmopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nmopi", false]], "no_dfile (detci)": [[1704, "term-NO_DFILE-DETCI", true]], "no_occupations() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.no_occupations", false]], "no_reorient": [[1833, "index-2", false]], "no_singles (psimrcc)": [[1704, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1794, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1704, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[148, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[148, "psi4.core.Vector.np_read", false]], "np_write() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.np_write", false]], "np_write() (psi4.core.vector method)": [[148, "psi4.core.Vector.np_write", false]], "nph (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.nph", false]], "nph (psi4.core.vector attribute)": [[148, "psi4.core.Vector.nph", false]], "npoints() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.npoints", false]], "npoints() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.npoints", false]], "nprimitive (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.nprimitive", false]], "nprimitive() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nprimitive", false]], "nshell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nshell", false]], "nshell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nshell_on_center", false]], "nso() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nso", false]], "nsopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nsopi", false]], "nuclear repulsion energy": [[1776, "psivar-NUCLEAR-REPULSION-ENERGY", false]], "nuclear() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.nuclear", false]], "nuclear_dipole() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_dipole", false]], "nuclear_repulsion_energy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy", false]], "nuclear_repulsion_energy_deriv1() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy_deriv1", false]], "nuclear_repulsion_energy_deriv2() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy_deriv2", false]], "num_amps_print (ccenergy)": [[1704, "term-NUM_AMPS_PRINT-CCENERGY", true]], "num_amps_print (cceom)": [[1704, "term-NUM_AMPS_PRINT-CCEOM", true]], "num_amps_print (cclambda)": [[1704, "term-NUM_AMPS_PRINT-CCLAMBDA", true]], "num_amps_print (ccresponse)": [[1704, "term-NUM_AMPS_PRINT-CCRESPONSE", true]], "num_amps_print (detci)": [[1704, "term-NUM_AMPS_PRINT-DETCI", true]], "num_core_orbitals (adc)": [[1704, "term-NUM_CORE_ORBITALS-ADC", true]], "num_dets_print (detci)": [[1704, "term-NUM_DETS_PRINT-DETCI", true]], "num_frozen_docc (globals)": [[1704, "term-NUM_FROZEN_DOCC-GLOBALS", true]], "num_frozen_uocc (globals)": [[1704, "term-NUM_FROZEN_UOCC-GLOBALS", true]], "num_guesses (adc)": [[1704, "term-NUM_GUESSES-ADC", true]], "num_init_vecs (detci)": [[1704, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1704, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[110, "psi4.core.NumIntHelper", false]], "numpy": [[1797, "index-0", false]], "occ() (in module psi4.core)": [[218, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.occ", false]], "occ_orbs_print (dfocc)": [[1704, "term-OCC_ORBS_PRINT-DFOCC", true]], "occ_orbs_print (occ)": [[1704, "term-OCC_ORBS_PRINT-OCC", true]], "occ_percentage (fnocc)": [[1704, "term-OCC_PERCENTAGE-FNOCC", true]], "occ_tolerance (fnocc)": [[1704, "term-OCC_TOLERANCE-FNOCC", true]], "occ_tolerance (sapt)": [[1704, "term-OCC_TOLERANCE-SAPT", true]], "occupation_a() (psi4.core.hf method)": [[84, "psi4.core.HF.occupation_a", false]], "occupation_b() (psi4.core.hf method)": [[84, "psi4.core.HF.occupation_b", false]], "ocepa(0) correlation energy": [[1776, "psivar-OCEPA-0-CORRELATION-ENERGY", false]], "ocepa(0) total energy": [[1776, "psivar-OCEPA-0-TOTAL-ENERGY", false]], "odc_guess (dct)": [[1704, "term-ODC_GUESS-DCT", true]], "oeprop": [[1799, "index-0", false]], "oeprop (class in psi4.core)": [[111, "psi4.core.OEProp", false]], "oeprop (dfocc)": [[1704, "term-OEPROP-DFOCC", true]], "oeprop (occ)": [[1704, "term-OEPROP-OCC", true]], "oeprop() (in module psi4.driver)": [[317, "psi4.driver.oeprop", false]], "oeprop() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.oeprop", false]], "offdiagonal_ccsd_t (psimrcc)": [[1704, "term-OFFDIAGONAL_CCSD_T-PSIMRCC", true]], "olccd": [[1798, "index-1", false], [1798, "index-5", false]], "olccd correlation energy": [[1776, "psivar-OLCCD-CORRELATION-ENERGY", false]], "olccd doubles energy": [[1776, "psivar-OLCCD-DOUBLES-ENERGY", false]], "olccd opposite-spin correlation energy": [[1776, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "olccd reference correction energy": [[1776, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", false]], "olccd same-spin correlation energy": [[1776, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "olccd singles energy": [[1776, "psivar-OLCCD-SINGLES-ENERGY", false]], "olccd total energy": [[1776, "psivar-OLCCD-TOTAL-ENERGY", false]], "omega (ccresponse)": [[1704, "term-OMEGA-CCRESPONSE", true]], "omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.omega", false]], "omega_erf (mints)": [[1704, "term-OMEGA_ERF-MINTS", true]], "omp2": [[1798, "index-1", false], [1798, "index-2", false]], "omp2 correlation energy": [[1776, "psivar-OMP2-CORRELATION-ENERGY", false]], "omp2 doubles energy": [[1776, "psivar-OMP2-DOUBLES-ENERGY", false]], "omp2 opposite-spin correlation energy": [[1776, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2 reference correction energy": [[1776, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", false]], "omp2 same-spin correlation energy": [[1776, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2 total energy": [[1776, "psivar-OMP2-TOTAL-ENERGY", false]], "omp2.5": [[1798, "index-4", false]], "omp2.5 correlation energy": [[1776, "psivar-OMP2.5-CORRELATION-ENERGY", false]], "omp2.5 doubles energy": [[1776, "psivar-OMP2.5-DOUBLES-ENERGY", false]], "omp2.5 opposite-spin correlation energy": [[1776, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2.5 reference correction energy": [[1776, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", false]], "omp2.5 same-spin correlation energy": [[1776, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2.5 total energy": [[1776, "psivar-OMP2.5-TOTAL-ENERGY", false]], "omp3": [[1798, "index-1", false], [1798, "index-3", false]], "omp3 correlation energy": [[1776, "psivar-OMP3-CORRELATION-ENERGY", false]], "omp3 doubles energy": [[1776, "psivar-OMP3-DOUBLES-ENERGY", false]], "omp3 opposite-spin correlation energy": [[1776, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp3 reference correction energy": [[1776, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", false]], "omp3 same-spin correlation energy": [[1776, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", false]], "omp3 total energy": [[1776, "psivar-OMP3-TOTAL-ENERGY", false]], "omp_nested": [[1756, "index-2", false], [1756, "index-3", false], [1767, "envvar-OMP_NESTED", false]], "omp_num_threads": [[661, "index-0", false], [1206, "index-0", false], [1224, "index-0", false], [1240, "index-0", false], [1704, "index-0", false], [1704, "index-1", false], [1743, "index-9", false], [1767, "envvar-OMP_NUM_THREADS", false], [1767, "index-14", false], [1767, "index-7", false]], "one-electron energy": [[1776, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[112, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[113, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1704, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1704, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1704, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1704, "term-OPDM-DCT", true]], "opdm (detci)": [[1704, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.opdm", false]], "opdm_only (ccdensity)": [[1704, "term-OPDM_ONLY-CCDENSITY", true]], "opdm_relax (ccdensity)": [[1704, "term-OPDM_RELAX-CCDENSITY", true]], "opdm_relax (dfmp2)": [[1704, "term-OPDM_RELAX-DFMP2", true]], "open() (psi4.core.io method)": [[86, "psi4.core.IO.open", false]], "open_check() (psi4.core.io method)": [[86, "psi4.core.IO.open_check", false]], "operate() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.operate", false]], "opt()": [[1800, "index-0", false]], "opt() (in module psi4.driver)": [[318, "psi4.driver.opt", false]], "opt_coordinates (optking)": [[1704, "term-OPT_COORDINATES-OPTKING", true]], "opt_method (dfocc)": [[1704, "term-OPT_METHOD-DFOCC", true]], "opt_method (occ)": [[1704, "term-OPT_METHOD-OCC", true]], "opt_restart (optking)": [[1704, "term-OPT_RESTART-OPTKING", true]], "opt_type (optking)": [[1704, "term-OPT_TYPE-OPTKING", true]], "optimization iterations": [[1776, "psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[270, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1800, "index-0", false]], "optimize() (in module psi4.driver)": [[319, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[320, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[219, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[114, "psi4.core.Options", false]], "options() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.options", false]], "options_to_python() (in module psi4.core)": [[220, "psi4.core.options_to_python", false]], "optionsstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionsState", false]], "optionsstatecm() (in module psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsStateCM", false]], "optionstate (class in psi4.driver.p4util)": [[326, "psi4.driver.p4util.OptionState", false]], "orb_opt (dfocc)": [[1704, "term-ORB_OPT-DFOCC", true]], "orb_opt (occ)": [[1704, "term-ORB_OPT-OCC", true]], "orb_resp_solver (dfocc)": [[1704, "term-ORB_RESP_SOLVER-DFOCC", true]], "orb_resp_solver (occ)": [[1704, "term-ORB_RESP_SOLVER-OCC", true]], "orbital-optimized methods": [[1798, "index-1", false]], "orbital-optimized methods, olccd": [[1798, "index-0", false]], "orbital-optimized methods, omp2": [[1798, "index-0", false]], "orbital-optimized methods, omp2.5": [[1798, "index-0", false]], "orbital-optimized methods, omp3": [[1798, "index-0", false]], "orbital_level_shift (dct)": [[1704, "term-ORBITAL_LEVEL_SHIFT-DCT", true]], "orbital_values() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.orbital_values", false]], "orbitals_write (scf)": [[1704, "term-ORBITALS_WRITE-SCF", true]], "orbitalspace (class in psi4.core)": [[115, "psi4.core.OrbitalSpace", false]], "order() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.order", false]], "order() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.order", false]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.ordered_params", false]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params", false]], "oremp": [[1798, "index-6", false]], "oremp2 correlation energy": [[1776, "psivar-OREMP2-CORRELATION-ENERGY", false]], "oremp2 doubles energy": [[1776, "psivar-OREMP2-DOUBLES-ENERGY", false]], "oremp2 opposite-spin correlation energy": [[1776, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "oremp2 reference correction energy": [[1776, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", false]], "oremp2 same-spin correlation energy": [[1776, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "oremp2 singles energy": [[1776, "psivar-OREMP2-SINGLES-ENERGY", false]], "oremp2 total energy": [[1776, "psivar-OREMP2-TOTAL-ENERGY", false]], "orientation() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.orientation", false]], "orientation_fixed() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.orientation_fixed", false]], "origin (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.origin", false]], "original_coef() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.original_coef", false]], "orth_type (dfocc)": [[1704, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1704, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1704, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[221, "psi4.core.outfile_name", false]], "output": [[1740, "index-2", false], [1752, "index-3", false], [1802, "index-4", false], [1837, "index-5", false], [1843, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.overlap", false]], "overlap_3c() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.overlap_3c", false]], "overlap_check (cceom)": [[1704, "term-OVERLAP_CHECK-CCEOM", true]], "overlap_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.overlap_grad", false]], "overlapint (class in psi4.core)": [[116, "psi4.core.OverlapInt", false]], "owner_group (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.owner_group", false]], "p (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.p", false]], "p (thermo)": [[1704, "term-P-THERMO", true]], "pair_energies_print (ccenergy)": [[1704, "term-PAIR_ENERGIES_PRINT-CCENERGY", true]], "parallel (scf)": [[1704, "term-PARALLEL-SCF", true]], "parallel operation": [[1767, "index-6", false]], "parent_atom() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.parent_atom", false]], "parent_symmetry (globals)": [[1704, "term-PARENT_SYMMETRY-GLOBALS", true]], "parsingerror": [[271, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[272, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [106, "index-0", false], [1738, "index-1", false], [1738, "index-10", false], [1738, "index-11", false], [1738, "index-12", false], [1738, "index-13", false], [1738, "index-14", false], [1738, "index-15", false], [1738, "index-16", false], [1738, "index-17", false], [1738, "index-18", false], [1738, "index-19", false], [1738, "index-24", false], [1738, "index-25", false], [1738, "index-26", false], [1738, "index-5", false], [1738, "index-7", false], [1743, "index-1", false], [1743, "index-3", false], [1743, "index-5", false], [1743, "index-7", false], [1748, "index-0", false], [1748, "index-3", false], [1748, "index-5", false], [1748, "index-6", false], [1748, "index-7", false], [1759, "index-1", false], [1767, "envvar-PATH", false], [1767, "index-17", false], [1767, "index-18", false], [1774, "index-1", false], [1774, "index-2", false], [1792, "index-1", false]], "pbs queueing system": [[1767, "index-9", false]], "pcg_beta_type (dfocc)": [[1704, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1704, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1704, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1704, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1704, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1704, "term-PCG_MAXITER-OCC", true]], "pcm": [[1754, "index-0", false], [1803, "index-0", false], [1803, "index-1", false]], "pcm (globals)": [[1704, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1776, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1704, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.PCM_enabled", false]], "pcm_helper() (in module psi4.driver)": [[379, "psi4.driver.pcm_helper", false]], "pcm_helper() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.pcm_helper", false]], "pcm_scf_type (pcm)": [[1704, "term-PCM_SCF_TYPE-PCM", true]], "pcmsolver": [[1803, "index-0", false]], "pcmsolver_parsed_fname (pcm)": [[1704, "term-PCMSOLVER_PARSED_FNAME-PCM", true]], "pe": [[1749, "index-0", false], [1749, "index-1", false]], "pe (globals)": [[1704, "term-PE-GLOBALS", true]], "pe energy": [[1776, "psivar-PE-ENERGY", false]], "pe_ecp (pe)": [[1704, "term-PE_ECP-PE", true]], "pep1": [[1804, "index-0", false]], "perturb_cbs (psimrcc)": [[1704, "term-PERTURB_CBS-PSIMRCC", true]], "perturb_cbs_coupling (psimrcc)": [[1704, "term-PERTURB_CBS_COUPLING-PSIMRCC", true]], "perturb_dipole (scf)": [[1704, "term-PERTURB_DIPOLE-SCF", true]], "perturb_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.perturb_grad", false]], "perturb_h (scf)": [[1704, "term-PERTURB_H-SCF", true]], "perturb_magnitude (detci)": [[1704, "term-PERTURB_MAGNITUDE-DETCI", true]], "perturb_magnitude (scf)": [[1704, "term-PERTURB_MAGNITUDE-SCF", true]], "perturb_with (scf)": [[1704, "term-PERTURB_WITH-SCF", true]], "petite_list() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.petite_list", false]], "petite_list() (psi4.core.sobasisset method)": [[132, "psi4.core.SOBasisSet.petite_list", false]], "petite_list1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.petite_list1", false]], "petitelist (class in psi4.core)": [[118, "psi4.core.PetiteList", false]], "phi_points (scf)": [[1704, "term-PHI_POINTS-SCF", true]], "physconst": [[1706, "index-0", false]], "physical constants": [[1832, "index-0", false]], "pitzer_to_ci_order_onel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_onel", false]], "pitzer_to_ci_order_twoel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_twoel", false]], "pk_all_nonsym (scf)": [[1704, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1704, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1768, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.play", false]], "plugin": [[1807, "index-0", false]], "plugin() (in module psi4.core)": [[222, "psi4.core.plugin", false]], "plugin_close() (in module psi4.core)": [[223, "psi4.core.plugin_close", false]], "plugin_close_all() (in module psi4.core)": [[224, "psi4.core.plugin_close_all", false]], "plugin_load() (in module psi4.core)": [[225, "psi4.core.plugin_load", false]], "plump_qcvar() (in module psi4.driver.p4util)": [[367, "psi4.driver.p4util.plump_qcvar", false]], "pmlocalizer (class in psi4.core)": [[117, "psi4.core.PMLocalizer", false]], "pno_convergence (dlpno)": [[1704, "term-PNO_CONVERGENCE-DLPNO", true]], "point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.point_group", false]], "point_values() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.point_values", false]], "pointfunctions (class in psi4.core)": [[119, "psi4.core.PointFunctions", false]], "pointgroup (class in psi4.core)": [[120, "psi4.core.PointGroup", false]], "points (findif)": [[1704, "term-POINTS-FINDIF", true]], "pop() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.pop", false]], "populateextern() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.populateExtern", false]], "position_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.position_camera", false]], "potential_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.potential_grad", false]], "potential_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.potential_integral", false]], "potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.potential_variable", false]], "potential_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.potential_variables", false]], "potentialint (class in psi4.core)": [[121, "psi4.core.PotentialInt", false]], "potfile (pe)": [[1704, "term-POTFILE-PE", true]], "power() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.power", false]], "ppl_type (dfocc)": [[1704, "term-PPL_TYPE-DFOCC", true]], "precondition() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.precondition", false]], "preconditioner (detci)": [[1704, "term-PRECONDITIONER-DETCI", true]], "prefactor_ecd() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.prefactor_ecd", false]], "prefactor_opa() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_opa", false]], "prepare_options_for_module() (in module 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"psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1704, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_density_threshold", false]], "print_detail() (psi4.core.functional method)": [[80, "psi4.core.Functional.print_detail", false]], "print_detail() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_detail", false]], "print_detail_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_detail_out", false]], "print_distances() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_distances", false]], "print_dpd_lookup() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.print_dpd_lookup", false]], "print_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.print_energies", false]], "print_energy() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_energy", false]], "print_global_options() (in module psi4.core)": [[227, "psi4.core.print_global_options", false]], "print_global_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_global_options", false]], "print_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_gradient", false]], "print_header() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.print_header", false]], "print_header() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[84, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[92, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[147, "psi4.core.VBase.print_header", false]], "print_hessian() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_hessian", false]], "print_in_input_format() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.print_molden_vibs", false]], "print_mos (scf)": [[1704, "term-PRINT_MOS-SCF", true]], "print_noons (globals)": [[1704, "term-PRINT_NOONS-GLOBALS", true]], "print_opt_params (optking)": [[1704, "term-PRINT_OPT_PARAMS-OPTKING", true]], "print_options() (in module psi4.core)": [[228, "psi4.core.print_options", false]], "print_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.print_orbitals", false]], "print_out() (in module psi4.core)": [[229, "psi4.core.print_out", false]], "print_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_out", false]], "print_out() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.print_out", false]], "print_out() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.print_out", false]], "print_out() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.print_out", false]], "print_out() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.print_out", false]], "print_out() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_out", false]], "print_out() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.print_out", false]], "print_out() (psi4.core.functional method)": [[80, "psi4.core.Functional.print_out", false]], "print_out() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.print_out", false]], "print_out() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.print_out", false]], "print_out() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.print_out", false]], "print_out() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out", false]], "print_out() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.print_out", false]], "print_out() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.print_out", false]], "print_out() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_out", false]], "print_out() (psi4.core.vector method)": [[148, "psi4.core.Vector.print_out", false]], "print_out() (psi4.driver.empiricaldispersion method)": [[267, "psi4.driver.EmpiricalDispersion.print_out", false]], "print_out_in_angstrom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_angstrom", false]], "print_out_in_bohr() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_bohr", false]], "print_out_of_planes() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_of_planes", false]], "print_preiterations() (psi4.core.hf method)": [[84, "psi4.core.HF.print_preiterations", false]], "print_rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_rotational_constants", false]], "print_stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.print_stability_analysis", false]], "print_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.print_tensor_pqQ", false]], "print_trailer() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.print_trailer", false]], "print_trajectory_xyz_file (optking)": [[1704, "term-PRINT_TRAJECTORY_XYZ_FILE-OPTKING", true]], "print_variables() (in module psi4.core)": [[230, "psi4.core.print_variables", false]], "print_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.print_vector", false]], "print_vibs() (in module psi4.driver.qcdb.vib)": [[389, "psi4.driver.qcdb.vib.print_vibs", false]], "priority (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.priority", false]], "process_grid (scf)": [[1704, "term-PROCESS_GRID-SCF", true]], "process_input() (in module psi4.driver)": [[380, "psi4.driver.process_input", false]], "process_input() (in module psi4.driver.inputparser)": [[1768, "psi4.driver.inputparser.process_input", false]], "project_densities() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.project_densities", false]], "prop (class in psi4.core)": [[123, "psi4.core.Prop", false]], "prop()": [[1826, "index-0", false]], "prop() (in module psi4.driver)": [[381, "psi4.driver.prop", false]], "prop_all (ccdensity)": [[1704, "term-PROP_ALL-CCDENSITY", true]], "prop_all (cclambda)": [[1704, "term-PROP_ALL-CCLAMBDA", true]], "prop_root (ccdensity)": [[1704, "term-PROP_ROOT-CCDENSITY", true]], "prop_root (cceom)": [[1704, "term-PROP_ROOT-CCEOM", true]], "prop_root (cclambda)": [[1704, "term-PROP_ROOT-CCLAMBDA", true]], "prop_sym (ccdensity)": [[1704, "term-PROP_SYM-CCDENSITY", true]], "prop_sym (cceom)": [[1704, "term-PROP_SYM-CCEOM", true]], "prop_sym (cclambda)": [[1704, "term-PROP_SYM-CCLAMBDA", true]], "properties (globals)": [[1704, "term-PROPERTIES-GLOBALS", true]], "properties()": [[1826, "index-0", false]], "properties() (in module psi4.driver)": [[382, "psi4.driver.properties", false]], "properties() (psi4.core.vbase method)": [[147, "psi4.core.VBase.properties", false]], "properties_origin (globals)": [[1704, "term-PROPERTIES_ORIGIN-GLOBALS", true]], "property (ccenergy)": [[1704, "term-PROPERTY-CCENERGY", true]], "property (ccresponse)": [[1704, "term-PROPERTY-CCRESPONSE", true]], "protocols (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.protocols", false]], "protointvector (class in psi4.core)": [[124, "psi4.core.ProtoIntVector", false]], "protovector (class in psi4.core)": [[125, "psi4.core.ProtoVector", false]], "provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.provenance", false]], "provenance_stamp() 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"psi4.driver.p4util": [[1827, "module-psi4.driver.p4util", false]], "psi4.driver.qcdb.vib": [[1772, "module-psi4.driver.qcdb.vib", false]], "psi4fockci": [[1805, "index-0", false]], "psi4rc": [[1767, "index-4", false]], "psi_scratch": [[1738, "index-27", false], [1748, "index-1", false], [1748, "index-2", false], [1748, "index-4", false], [1748, "index-8", false], [1767, "envvar-PSI_SCRATCH", false], [1767, "index-1", false], [1767, "index-12", false], [1767, "index-15", false], [1767, "index-19", false], [1767, "index-2", false], [1767, "index-3", false], [1767, "index-5", false]], "psi_top_srcdir() (in module psi4.core)": [[231, "psi4.core.psi_top_srcdir", false]], "psiclean() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.psiclean", false]], "psidatadir": [[194, "index-0", false], [245, "index-0", false], [1738, "index-3", false], [1738, "index-8", false], [1738, "index-9", false], [1767, "envvar-PSIDATADIR", false], [1767, "index-10", false], [1767, "index-13", false], [1767, "index-8", false], [1827, "index-2", false], [1827, "index-3", false]], "psiexception": [[273, "psi4.driver.PsiException", false]], "psimrcc() (in module psi4.core)": [[232, "psi4.core.psimrcc", false]], "psio_entry (class in psi4.core)": [[233, "psi4.core.psio_entry", false]], "psioh": [[1708, "index-0", false]], "psipath": [[106, "index-1", false], [1730, "index-4", false], [1730, "index-5", false], [1743, "index-2", false], [1743, "index-4", false], [1743, "index-6", false], [1743, "index-8", false], [1767, "envvar-PSIPATH", false], [1767, "index-11", false], [1767, "index-16", false], [1767, "index-20", false], [1767, "index-21", false], [1767, "index-22", false], [1767, "index-23", false], [1774, "index-3", false], [1782, "index-2", false], [1782, "index-3", false], [1808, "index-1", false], [1835, "index-1", false]], "psirc": [[1767, "index-4", false]], "psireturntype (class in psi4.core)": [[126, "psi4.core.PsiReturnType", false]], "pt_energy (psimrcc)": [[1704, "term-PT_ENERGY-PSIMRCC", true]], "pubchem": [[1833, "index-5", false]], "pure (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.Pure", false]], "puream (globals)": [[1704, "term-PUREAM-GLOBALS", true]], "push_back_external_potential() (psi4.core.hf method)": [[84, "psi4.core.HF.push_back_external_potential", false]], "pythonpath": [[2, "index-0", false], [1738, "index-2", false], [1738, "index-4", false], [1738, "index-6", false], [1752, "index-1", false], [1752, "index-2", false], [1759, "index-2", false], [1767, "envvar-PYTHONPATH", false], [1767, "index-24", false], [1806, "index-1", false], [1807, "index-1", false], [1807, "index-2", false], [1808, "index-0", false]], "q (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.q", false]], "qc_coupling (dct)": [[1704, "term-QC_COUPLING-DCT", true]], "qc_module (globals)": [[1704, "term-QC_MODULE-GLOBALS", true]], "qc_type (dct)": [[1704, "term-QC_TYPE-DCT", true]], "qchf (dfocc)": [[1704, "term-QCHF-DFOCC", true]], "qchf (scf)": [[1704, "term-QCHF-SCF", true]], "qcisd correlation energy": [[1776, "psivar-QCISD-CORRELATION-ENERGY", false]], "qcisd doubles energy": [[1776, "psivar-QCISD-DOUBLES-ENERGY", false]], "qcisd opposite-spin correlation energy": [[1776, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "qcisd same-spin correlation energy": [[1776, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", false]], "qcisd singles energy": [[1776, "psivar-QCISD-SINGLES-ENERGY", false]], "qcisd total energy": [[1776, "psivar-QCISD-TOTAL-ENERGY", false]], "qcisd(t)": [[1771, "index-1", false]], "qcisd(t) correction energy": [[1776, "psivar-QCISD-T-CORRECTION-ENERGY", false]], "qcisd(t) correlation energy": [[1776, "psivar-QCISD-T-CORRELATION-ENERGY", false]], "qcisd(t) total energy": [[1776, "psivar-QCISD-T-TOTAL-ENERGY", false]], "qmefp (efp)": [[1704, "term-QMEFP-EFP", true]], "qmmm (class in psi4.driver)": [[274, "psi4.driver.QMMM", false]], "qmmmbohr 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"r_convergence (psimrcc)": [[1704, "term-R_CONVERGENCE-PSIMRCC", true]], "r_points (scf)": [[1704, "term-R_POINTS-SCF", true]], "radial_scale (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radial_scale", false]], "radii (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radii", false]], "radius (scf)": [[1704, "term-RADIUS-SCF", true]], "random phase approximation": [[1841, "index-0", false]], "ranged_bend (optking)": [[1704, "term-RANGED_BEND-OPTKING", true]], "ranged_dihedral (optking)": [[1704, "term-RANGED_DIHEDRAL-OPTKING", true]], "ranged_distance (optking)": [[1704, "term-RANGED_DISTANCE-OPTKING", true]], "ranged_oofp (optking)": [[1704, "term-RANGED_OOFP-OPTKING", true]], "ras1 (globals)": [[1704, "term-RAS1-GLOBALS", true]], "ras2 (globals)": [[1704, "term-RAS2-GLOBALS", true]], "ras3 (globals)": [[1704, "term-RAS3-GLOBALS", true]], "ras34_max (detci)": [[1704, "term-RAS34_MAX-DETCI", true]], "ras3_max (detci)": [[1704, "term-RAS3_MAX-DETCI", true]], "ras4 (globals)": [[1704, "term-RAS4-GLOBALS", true]], "ras4_max (detci)": [[1704, "term-RAS4_MAX-DETCI", true]], "raw_compute_properties() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.raw_compute_properties", false]], "raw_plot() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.raw_plot", false]], "read() (psi4.core.civector method)": [[12, "psi4.core.CIVector.read", false]], "read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.read_globals", false]], "read_scf_3index (dfocc)": [[1704, "term-READ_SCF_3INDEX-DFOCC", true]], "real (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Real", false]], "reference (adc)": [[1704, "term-REFERENCE-ADC", true]], "reference (ccdensity)": [[1704, "term-REFERENCE-CCDENSITY", true]], "reference (ccenergy)": [[1704, "term-REFERENCE-CCENERGY", true]], "reference (cceom)": [[1704, "term-REFERENCE-CCEOM", true]], "reference (ccresponse)": [[1704, "term-REFERENCE-CCRESPONSE", true]], "reference (cctransort)": [[1704, "term-REFERENCE-CCTRANSORT", true]], "reference (cctriples)": [[1704, "term-REFERENCE-CCTRIPLES", true]], "reference (dct)": [[1704, "term-REFERENCE-DCT", true]], "reference (detci)": [[1704, "term-REFERENCE-DETCI", true]], "reference (mcscf)": [[1704, "term-REFERENCE-MCSCF", true]], "reference (scf)": [[1704, "term-REFERENCE-SCF", true]], "reference_sym (detci)": [[1704, "term-REFERENCE_SYM-DETCI", true]], "reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.reference_wavefunction", false]], "refresh() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.refresh", false]], "reg_param (dfocc)": [[1704, "term-REG_PARAM-DFOCC", true]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.register_composite_function", false]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.register_xtpl_function", false]], "regularization (dfocc)": [[1704, "term-REGULARIZATION-DFOCC", true]], "rehash() (psi4.core.io method)": [[86, "psi4.core.IO.rehash", false]], "reinterpret_coordentry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reinterpret_coordentry", false]], "relativistic": [[1836, "index-0", false]], "relativistic (globals)": [[1704, "term-RELATIVISTIC-GLOBALS", true]], "relax_guess_orbitals (dct)": [[1704, "term-RELAX_GUESS_ORBITALS-DCT", true]], "relaxed (occ)": [[1704, "term-RELAXED-OCC", true]], "remove() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.remove", false]], "remove_symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.remove_symmetry", false]], "remp2 correlation energy": [[1776, "psivar-REMP2-CORRELATION-ENERGY", false]], "remp2 doubles energy": [[1776, "psivar-REMP2-DOUBLES-ENERGY", false]], "remp2 opposite-spin correlation energy": [[1776, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "remp2 same-spin correlation energy": [[1776, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "remp2 singles energy": [[1776, "psivar-REMP2-SINGLES-ENERGY", false]], "remp2 total energy": [[1776, "psivar-REMP2-TOTAL-ENERGY", false]], "remp_a (dfocc)": [[1704, "term-REMP_A-DFOCC", true]], "remp_a (occ)": [[1704, "term-REMP_A-OCC", true]], "reopen_outfile() (in module psi4.core)": [[234, "psi4.core.reopen_outfile", false]], "repl_otf (detci)": [[1704, "term-REPL_OTF-DETCI", true]], "reset_ci_h0block() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.reset_ci_H0block", false]], "reset_occ_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1704, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1767, "index-0", false]], "restart (ccenergy)": [[1704, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1704, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1704, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1704, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1704, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[326, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1704, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1704, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[235, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1704, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1704, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1704, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[128, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1704, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[129, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1704, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1704, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1704, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1704, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[130, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1704, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1704, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1704, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1704, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rotate_columns", false]], "rotate_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.rotate_mcscf_integrals", false]], "rotate_mo_angle (mcscf)": [[1704, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1704, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1704, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1704, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1704, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rows", false]], "rpa": [[1841, "index-0", false]], "rsrfo_alpha_max (optking)": [[1704, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1704, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1704, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1704, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1743, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1759, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1759, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1774, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1704, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1704, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1704, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1704, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.S", false]], "s6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s6", false]], "s8() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s8", false]], "s_cholesky_tolerance (scf)": [[1704, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1704, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1704, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1704, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1704, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1704, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1704, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1704, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1704, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1704, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1704, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1704, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[131, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[134, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[391, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[392, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1704, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1837, "index-0", false], [1837, "index-1", false], [1837, "index-2", false], [1837, "index-3", false], [1837, "index-4", false], [1837, "index-5", false]], "sapt (scf)": [[1704, "term-SAPT-SCF", true]], "sapt alpha": [[1776, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1776, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1776, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1776, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1776, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1776, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1776, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1776, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1776, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1776, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1776, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1776, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1776, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1776, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1776, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1776, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1776, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1776, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1776, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1776, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1776, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1776, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1776, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1776, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1776, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1776, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1776, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1776, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1776, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1776, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1776, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1776, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1776, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1776, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1776, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1776, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1776, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1776, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1776, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1776, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1776, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1776, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1776, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1776, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1776, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1776, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1776, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[237, "psi4.core.sapt", false]], "sapt(dft)": [[1837, "index-2", false]], "sapt0": [[1837, "index-1", false]], "sapt0 disp energy": [[1776, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1776, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1776, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1776, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1776, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1704, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1704, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1704, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1776, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1776, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1776, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1776, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1776, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1776, "psivar-1", false]], "sapt2+ elst energy": [[1776, "psivar-2", false]], "sapt2+ exch energy": [[1776, "psivar-3", false]], "sapt2+ ind energy": [[1776, "psivar-4", false]], "sapt2+ total energy": [[1776, "psivar-9", false]], "sapt2+(3) disp energy": [[1776, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1776, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1776, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1776, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1776, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1776, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1776, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1776, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1776, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1776, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1776, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1776, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1776, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1776, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1776, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1776, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1776, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1776, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1776, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1776, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1776, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1776, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1776, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1776, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1776, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1776, "psivar-5", false]], "sapt2+3 elst energy": [[1776, "psivar-6", false]], "sapt2+3 exch energy": [[1776, "psivar-7", false]], "sapt2+3 ind energy": [[1776, "psivar-8", false]], "sapt2+3 total energy": [[1776, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1776, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1776, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1776, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1776, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1776, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1776, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1776, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1776, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1776, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1776, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1776, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1776, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1776, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1776, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1776, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1776, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1776, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1776, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1776, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1776, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1704, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1704, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1704, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1704, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1704, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1704, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1704, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1704, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1704, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1704, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1704, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1704, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1704, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1704, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1704, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1704, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1704, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[148, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[84, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1704, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1704, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1704, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[135, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[238, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[239, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[148, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[240, "psi4.core.scatter", false]], "scf": [[1838, "index-0", false], [1838, "index-1", false]], "scf dipole": [[1776, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1776, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1776, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1776, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1776, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1776, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1776, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1776, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[393, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1704, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1704, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1704, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1704, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1704, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1704, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1704, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1704, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[84, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[394, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[276, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[241, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[242, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1704, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.scramble", false]], "scratch files": [[1767, "index-0", false]], "screening (globals)": [[1704, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1776, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1776, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1776, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1776, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1776, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1776, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1776, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1776, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1776, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1776, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1776, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1776, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1776, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1776, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1776, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1776, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1704, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1704, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1704, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1704, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1704, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1704, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1704, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1776, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1776, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1704, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1704, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1704, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1704, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1704, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1704, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1704, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[84, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set", false]], "set() 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false]], "set_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[244, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_bb_int_name", false]], "set_bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_bibtex", false]], "set_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[114, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_camera", false]], "set_ci_guess() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_ci_guess", false]], "set_citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_citation", false]], "set_citation() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_connectivity", false]], "set_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.set_COSX_grid", false]], "set_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[92, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[245, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_define", false]], "set_delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.set_delta", false]], "set_density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_density_tolerance", false]], "set_deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.set_deriv", false]], "set_deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_deriv", false]], "set_deriv_density_backtransformed() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_deriv_density_backtransformed", false]], "set_description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_description", false]], "set_description() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[114, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[84, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[246, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[247, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_hessian", false]], "set_ignore_reference() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_ignore_reference", false]], "set_input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[114, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[248, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[249, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[395, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.set_memory", false]], "set_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_memory", false]], "set_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[92, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[250, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta_cutoff", false]], "set_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_method", false]], "set_method() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_method", false]], "set_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_MO_core", false]], "set_module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[396, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_multiplicity", false]], "set_name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_name", false]], "set_name() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_nfragments", false]], "set_nthreads() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_nthreads", false]], "set_nuclear_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[251, "psi4.core.set_num_threads", false]], "set_nvec() (psi4.core.civector method)": [[12, "psi4.core.CIVector.set_nvec", false]], "set_omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[397, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_options", false]], "set_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_orbitals", false]], "set_orbitals() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1768, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[252, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_parameter", false]], "set_params() (psi4.core.correlationfactor method)": [[19, "psi4.core.CorrelationFactor.set_params", false]], "set_pid() (psi4.core.io method)": [[86, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[92, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[253, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[254, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_scalar_variable", false]], "set_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_schwarz_cutoff", false]], "set_size() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[114, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[114, "psi4.core.Options.set_str_i", false]], "set_subalgo() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_subalgo", false]], "set_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tpdm_already_presorted", false]], "set_tpdm_presorted() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_tpdm_presorted", false]], "set_tweak() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[255, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.setName", false]], "setting": [[1740, "index-0", false], [1752, "index-0", false], [1761, "index-0", false], [1766, "index-0", false], [1772, "index-0", false], [1794, "index-1", false], [1800, "index-0", false], [1826, "index-0", false], [1832, "index-2", false], [1833, "index-2", false]], "setting keywords": [[1798, "index-2", false], [1798, "index-3", false], [1798, "index-4", false], [1798, "index-5", false], [1798, "index-6", false]], "sf_restrict (detci)": [[1704, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[148, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[86, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[87, "psi4.core.IOManager.shared_object", false]], "shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell", false]], "shell_extents() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.shell_extents", false]], "shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_on_center", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.shell_significant", false]], "shell_to_ao_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_ao_function", false]], "shell_to_basis_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_basis_function", false]], "shell_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_center", false]], "shellinfo (class in psi4.core)": [[136, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.shells_iterator", false]], "shells_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.shells_local_to_global", false]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1740, "psi4.driver.aliases.sherrill_gold_standard", false]], "shift() (psi4.core.civector method)": [[12, "psi4.core.CIVector.shift", false]], "sigma() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.sigma", false]], "sigma_overlap (detci)": [[1704, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1839, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1766, "index-0", false]], "singles_print (cceom)": [[1704, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[137, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1704, "term-SMALL_CUTOFF-PSIMRCC", true]], "snlink_basis_tolerance (scf)": [[1704, "term-SNLINK_BASIS_TOLERANCE-SCF", true]], "snlink_density_tolerance (scf)": [[1704, "term-SNLINK_DENSITY_TOLERANCE-SCF", true]], "snlink_force_cartesian (scf)": [[1704, "term-SNLINK_FORCE_CARTESIAN-SCF", true]], "snlink_gpu_mem (scf)": [[1704, "term-SNLINK_GPU_MEM-SCF", true]], "snlink_grid_batch_size (scf)": [[1704, "term-SNLINK_GRID_BATCH_SIZE-SCF", true]], "snlink_integrator_kernel (scf)": [[1704, "term-SNLINK_INTEGRATOR_KERNEL-SCF", true]], "snlink_ints_tolerance (scf)": [[1704, "term-SNLINK_INTS_TOLERANCE-SCF", true]], "snlink_load_balancer_kernel (scf)": [[1704, "term-SNLINK_LOAD_BALANCER_KERNEL-SCF", true]], "snlink_lwd_kernel (scf)": [[1704, "term-SNLINK_LWD_KERNEL-SCF", true]], "snlink_mol_weights_kernel (scf)": [[1704, "term-SNLINK_MOL_WEIGHTS_KERNEL-SCF", true]], "snlink_pruning_scheme (scf)": [[1704, "term-SNLINK_PRUNING_SCHEME-SCF", true]], "snlink_radial_points (scf)": [[1704, "term-SNLINK_RADIAL_POINTS-SCF", true]], "snlink_radial_scheme (scf)": [[1704, "term-SNLINK_RADIAL_SCHEME-SCF", true]], "snlink_reduction_kernel (scf)": [[1704, "term-SNLINK_REDUCTION_KERNEL-SCF", true]], "snlink_spherical_points (scf)": [[1704, "term-SNLINK_SPHERICAL_POINTS-SCF", true]], "snlink_use_debug_grid (scf)": [[1704, "term-SNLINK_USE_DEBUG_GRID-SCF", true]], "snlink_use_gpu (scf)": [[1704, "term-SNLINK_USE_GPU-SCF", true]], "sns-mp2": [[1806, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_angular_momentum", false]], "so_dipole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_dipole", false]], "so_dipole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_dipole", false]], "so_dkh() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_dkh", false]], "so_kinetic() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_kinetic", false]], "so_kinetic() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_kinetic", false]], "so_multipoles() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_multipoles", false]], "so_nabla() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_nabla", false]], "so_nabla() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_nabla", false]], "so_overlap() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_overlap", false]], "so_overlap() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_overlap", false]], "so_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_potential", false]], "so_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_potential", false]], "so_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_quadrupole", false]], "so_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_traceless_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_traceless_quadrupole", false]], "sobasisset (class in psi4.core)": [[132, "psi4.core.SOBasisSet", false]], "sobasisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.sobasisset", false]], "sobasisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1704, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1704, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1704, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1704, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1704, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1704, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1704, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1704, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1704, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1704, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1704, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[329, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[133, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1776, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1776, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1776, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1776, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1776, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1776, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1776, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1776, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1704, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1704, "term-SOS_TYPE-OCC", true]], "soscf": [[1838, "index-3", false]], "soscf (scf)": [[1704, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1704, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1704, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1704, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1704, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1704, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[84, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.sotoao", false]], "specification": [[1833, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1755, "index-3", false]], "spin_scale_type (occ)": [[1704, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1704, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1704, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1704, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1704, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1704, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1776, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1776, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1776, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1776, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1776, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1704, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1704, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1704, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1704, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1704, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1704, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1704, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1704, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1704, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[86, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1704, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.SubBlocks", false]], "subdegen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subdegen", false]], "subgroup() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subgroup", false]], "subn() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subn", false]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1768, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1704, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[138, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1704, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1833, "index-2", false], [1833, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[139, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1704, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1704, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1704, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1704, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1704, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1704, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1704, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1704, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1704, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1704, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1704, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1704, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1704, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1841, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1768, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1768, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (h) -> root n (i) excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 -> root n electric transition dipole moment (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1776, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1776, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1776, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1776, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1841, "index-0", false]], "tddft": [[1841, "index-0", false]], "tdm (detci)": [[1704, "term-TDM-DETCI", true]], "tdscf": [[1841, "index-0", false], [1841, "index-1", false]], "tdscf() (in module psi4.driver)": [[398, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1704, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1704, "term-TDSCF_GUESS-SCF", true]], "tdscf_maxiter (scf)": [[1704, "term-TDSCF_MAXITER-SCF", true]], "tdscf_print (scf)": [[1704, "term-TDSCF_PRINT-SCF", true]], "tdscf_r_convergence (scf)": [[1704, "term-TDSCF_R_CONVERGENCE-SCF", true]], "tdscf_states (scf)": [[1704, "term-TDSCF_STATES-SCF", true]], "tdscf_tda (scf)": [[1704, "term-TDSCF_TDA-SCF", true]], "tdscf_tdm_print (scf)": [[1704, "term-TDSCF_TDM_PRINT-SCF", true]], "tdscf_triplets (scf)": [[1704, "term-TDSCF_TRIPLETS-SCF", true]], "tdscfconvergenceerror": [[277, "psi4.driver.TDSCFConvergenceError", false]], "test_b (optking)": [[1704, "term-TEST_B-OPTKING", true]], "test_derivative_b (optking)": [[1704, "term-TEST_DERIVATIVE_B-OPTKING", true]], "test_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.test_functional", false]], "test_matrix_dpd_interface() (in module psi4.core)": [[256, "psi4.core.test_matrix_dpd_interface", false]], "testcomparisonerror": [[278, "psi4.driver.TestComparisonError", false]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1776, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", false]], "theory": [[0, "index-2", false], [284, "index-0", false], [1740, "index-1", false], [1741, "index-0", false], [1742, "index-0", false], [1753, "index-0", false], [1755, "index-1", false], [1756, "index-1", false], [1757, "index-0", false], [1763, "index-1", false], [1770, "index-0", false], [1789, "index-1", false], [1798, "index-1", false], [1799, "index-0", false], [1837, "index-0", false], [1838, "index-1", false], [1841, "index-1", false]], "thermal energy": [[1776, "psivar-THERMAL-ENERGY", false]], "thermal energy correction": [[1776, "psivar-THERMAL-ENERGY-CORRECTION", false]], "thermo() (in module psi4.driver.qcdb.vib)": [[390, "psi4.driver.qcdb.vib.thermo", false]], "theta_points (scf)": [[1704, "term-THETA_POINTS-SCF", true]], "thickness (scf)": [[1704, "term-THICKNESS-SCF", true]], "threading": [[1767, "index-6", false], [1767, "index-9", false]], "three_particle (dct)": [[1704, "term-THREE_PARTICLE-DCT", true]], "threecenteroverlapint (class in psi4.core)": [[141, "psi4.core.ThreeCenterOverlapInt", false]], "tikhonow_max (psimrcc)": [[1704, "term-TIKHONOW_MAX-PSIMRCC", true]], "tikhonow_omega (dct)": [[1704, "term-TIKHONOW_OMEGA-DCT", true]], "tikhonow_omega (psimrcc)": [[1704, "term-TIKHONOW_OMEGA-PSIMRCC", true]], "tikhonow_triples (psimrcc)": [[1704, "term-TIKHONOW_TRIPLES-PSIMRCC", true]], "tile_sz (scf)": [[1704, "term-TILE_SZ-SCF", true]], "timer_off() (in module psi4.core)": [[257, "psi4.core.timer_off", false]], "timer_on() (in module psi4.core)": [[258, "psi4.core.timer_on", false]], "tlaplacedenominator (class in psi4.core)": [[140, "psi4.core.TLaplaceDenominator", false]], "to_array() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.to_array", false]], "to_array() (psi4.core.vector method)": [[148, "psi4.core.Vector.to_array", false]], "to_arrays() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_arrays", false]], "to_dict() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_dict", false]], "to_file() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.to_file", false]], "to_schema() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_schema", false]], "to_serial() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.to_serial", false]], "to_serial() (psi4.core.vector method)": [[148, "psi4.core.Vector.to_serial", false]], "to_string() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_string", false]], "to_tuple() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.to_tuple", false]], "tocclean() (psi4.core.io method)": [[86, "psi4.core.IO.tocclean", false]], "tocentry_exists() (psi4.core.io method)": [[86, "psi4.core.IO.tocentry_exists", false]], "tocprint() (psi4.core.io method)": [[86, "psi4.core.IO.tocprint", false]], "tocscan() (psi4.core.io method)": [[86, "psi4.core.IO.tocscan", false]], "tocwrite() (psi4.core.io method)": [[86, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1704, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1704, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[142, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transform", false]], "transform() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transform", false]], "transform_ci_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_ci_integrals", false]], "transform_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_mcscf_integrals", false]], "transform_tei() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei", false]], "transform_tei_first_half() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei_first_half", false]], "transform_tei_second_half() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei_second_half", false]], "transition state": [[1802, "index-2", false]], "translate() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.translate", false]], "translate_psi4 (cfour)": [[1704, "term-TRANSLATE_PSI4-CFOUR", true]], "transpose() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transpose", false]], "transpose() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transpose", false]], "transpose() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transpose", false]], "transpose_this() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transpose_this", false]], "tree_expansion_order (pe)": [[1704, "term-TREE_EXPANSION_ORDER-PE", true]], "tree_theta (pe)": [[1704, "term-TREE_THETA-PE", true]], "triples_algorithm (psimrcc)": [[1704, "term-TRIPLES_ALGORITHM-PSIMRCC", true]], "triples_diis (psimrcc)": [[1704, "term-TRIPLES_DIIS-PSIMRCC", true]], "triples_iabc_type (dfocc)": [[1704, "term-TRIPLES_IABC_TYPE-DFOCC", true]], "triples_low_memory (fnocc)": [[1704, "term-TRIPLES_LOW_MEMORY-FNOCC", true]], "triplet() (in module psi4.core)": [[259, "psi4.core.triplet", false]], "triplet() (psi4.core.matrix static method)": [[100, "psi4.core.Matrix.triplet", false]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.trove", false]], "true_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.true_atomic_number", false]], "tstart() (in module psi4.core)": [[260, "psi4.core.tstart", false]], "tstop() (in module psi4.core)": [[261, "psi4.core.tstop", false]], "turn_on_actv (mcscf)": [[1704, "term-TURN_ON_ACTV-MCSCF", true]], "two-electron energy": [[1776, "psivar-TWO-ELECTRON-ENERGY", false]], "twobodyaoint (class in psi4.core)": [[143, "psi4.core.TwoBodyAOInt", false]], "twoel_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.twoel_Hx", false]], "twoel_hx_full() (psi4.core.rhf method)": [[128, "psi4.core.RHF.twoel_Hx_full", false]], "twoelectronint (class in psi4.core)": [[144, "psi4.core.TwoElectronInt", false]], "u (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.U", false]], "uhf (class in psi4.core)": [[145, "psi4.core.UHF", false]], "uhf_noons (scf)": [[1704, "term-UHF_NOONS-SCF", true]], "uksfunctions (class in psi4.core)": [[146, "psi4.core.UKSFunctions", false]], "uncp-corrected 2-body interaction energy": [[1776, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "unfreeze_dihedrals (optking)": [[1704, "term-UNFREEZE_DIHEDRALS-OPTKING", true]], "unify() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.unify", false]], "unify_part2() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.unify_part2", false]], "unit() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.unit", false]], "units": [[1833, "index-2", false]], "units() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.units", false]], "unnormalized (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.Unnormalized", false]], "up (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.up", false]], "update (detci)": [[1704, "term-UPDATE-DETCI", true]], "update() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.update", false]], "update_density() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.update_density", false]], "update_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.update_geometry", false]], "update_geometry() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.update_geometry", false]], "update_orbitals() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.update_orbitals", false]], "upgradehelper": [[279, "psi4.driver.UpgradeHelper", false]], "use_df_ints (fnocc)": [[1704, "term-USE_DF_INTS-FNOCC", true]], "use_spin_sym (psimrcc)": [[1704, "term-USE_SPIN_SYM-PSIMRCC", true]], "use_spin_symmetry (psimrcc)": [[1704, "term-USE_SPIN_SYMMETRY-PSIMRCC", true]], "using pcm": [[1803, "index-1", false]], "using pe": [[1749, "index-1", false]], "v2rdm_casscf": [[1807, "index-0", false]], "v_potential() (psi4.core.hf method)": [[84, "psi4.core.HF.V_potential", false]], "va() (psi4.core.hf method)": [[84, "psi4.core.HF.Va", false]], "val_ex_level (detci)": [[1704, "term-VAL_EX_LEVEL-DETCI", true]], "valid_methods (psi4.core.oeprop attribute)": [[111, "psi4.core.OEProp.valid_methods", false]], "validate_diis() (psi4.core.hf method)": [[84, "psi4.core.HF.validate_diis", false]], "validate_options() (psi4.core.options method)": [[114, "psi4.core.Options.validate_options", false]], "validationerror": [[280, "psi4.driver.ValidationError", false]], "value (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.value", false]], "value (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.value", false]], "value (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.value", false]], "value (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.value", false]], "value (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.value", false]], "value (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.value", false]], "value (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.value", false]], "value (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.value", false]], "value() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.value", false]], "values() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.values", false]], "variable() (in module psi4.core)": [[262, "psi4.core.variable", false]], "variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.variable", false]], "variables() (in module psi4.core)": [[263, "psi4.core.variables", false]], "variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.variables", false]], "vb() (psi4.core.hf method)": [[84, "psi4.core.HF.Vb", false]], "vbase (class in psi4.core)": [[147, "psi4.core.VBase", false]], "vdot() (psi4.core.civector method)": [[12, "psi4.core.CIVector.vdot", false]], "vecs_cc3 (cceom)": [[1704, "term-VECS_CC3-CCEOM", true]], "vecs_per_root (cceom)": [[1704, "term-VECS_PER_ROOT-CCEOM", true]], "vector (class in psi4.core)": [[148, "psi4.core.Vector", false]], "vector3 (class in psi4.core)": [[149, "psi4.core.Vector3", false]], "vector_axpy() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_axpy", false]], "vector_copy() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_copy", false]], "vector_dot() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.vector_dot", false]], "vector_dot() (psi4.core.vector method)": [[148, "psi4.core.Vector.vector_dot", false]], "vector_dot() (psi4.driver.p4util.solverengine static method)": [[329, "psi4.driver.p4util.SolverEngine.vector_dot", false]], "vector_multiply() (psi4.core.civector method)": [[12, "psi4.core.CIVector.vector_multiply", false]], "vector_scale() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.vector_scale", false]], "vectors() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.vectors", false]], "verbose (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.verbose", false]], "version() (in module psi4.core)": [[264, "psi4.core.version", false]], "vibanal_wfn() (in module psi4.driver)": [[399, "psi4.driver.vibanal_wfn", false]], "vibrational analysis": [[1772, "index-0", false], [1843, "index-1", false]], "vir() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.vir", false]], "visualization": [[1750, "index-0", false], [1791, "index-0", false]], "vmdpath": [[1750, "envvar-VMDPATH", false], [1750, "index-1", false]], "vmfc": [[1794, "index-1", false]], "vmfc (psi4.driver.driver_nbody.bsseenum attribute)": [[1794, "psi4.driver.driver_nbody.BsseEnum.vmfc", false]], "vv10_b() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.vv10_b", false]], "vv10_c() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.vv10_c", false]], "vvals() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.Vvals", false]], "w() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.w", false]], "wabei_lowdisk (cchbar)": [[1704, "term-WABEI_LOWDISK-CCHBAR", true]], "wavefunction (class in psi4.core)": [[150, "psi4.core.Wavefunction", false]], "wcombine (scf)": [[1704, "term-WCOMBINE-SCF", true]], "webmo": [[1791, "index-0", false]], "wfn (ccdensity)": [[1704, "term-WFN-CCDENSITY", true]], "wfn (ccenergy)": [[1704, "term-WFN-CCENERGY", true]], "wfn (cceom)": [[1704, "term-WFN-CCEOM", true]], "wfn (cchbar)": [[1704, "term-WFN-CCHBAR", true]], "wfn (cclambda)": [[1704, "term-WFN-CCLAMBDA", true]], "wfn (ccresponse)": [[1704, "term-WFN-CCRESPONSE", true]], "wfn (cctransort)": [[1704, "term-WFN-CCTRANSORT", true]], "wfn (cctriples)": [[1704, "term-WFN-CCTRIPLES", true]], "wfn (detci)": [[1704, "term-WFN-DETCI", true]], "wfn (globals)": [[1704, "term-WFN-GLOBALS", true]], "wfn (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.wfn", false]], "wfn (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.wfn", false]], "wfn (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.wfn", false]], "wfn (scf)": [[1704, 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CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1776, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1776, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1776, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1776, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1776, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1776, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1776, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1776, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1776, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1776, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1776, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1776, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1776, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1776, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1776, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1776, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1776, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1776, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1776, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1776, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1776, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1776, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1776, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1776, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1776, 9, 1, "-", "ENTHALPY"], [1776, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1776, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1776, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1776, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1776, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1776, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1776, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1776, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1776, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1776, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1776, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1776, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1776, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1776, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1776, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1776, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1776, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1767, 10, 1, "-", "HOST"], [1776, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1776, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1776, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1776, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1776, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1738, 10, 1, "-", "MATH_ROOT"], [1776, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1776, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1776, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1776, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1776, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1776, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1776, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1776, 9, 1, "psivar-MBIS-VALENCE-CHARGES", "MBIS VALENCE CHARGES"], [1776, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1776, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1776, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1767, 10, 1, "-", "MKL_NUM_THREADS"], [1738, 10, 1, "-", "MKL_ROOT"], [1750, 10, 1, "-", "MONTAGE"], [1776, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1776, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1776, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1776, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1776, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1776, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1776, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1776, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1776, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1776, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1776, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1776, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1776, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1776, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1776, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1776, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1776, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1776, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1776, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1776, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1767, 10, 1, "-", "OMP_NESTED"], [1767, 10, 1, "-", "OMP_NUM_THREADS"], [1776, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1776, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1776, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1767, 10, 1, "-", "PATH"], [1776, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1776, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1767, 10, 1, "-", "PSIDATADIR"], [1767, 10, 1, "-", "PSIPATH"], [1767, 10, 1, "-", "PSI_SCRATCH"], [1767, 10, 1, "-", "PYTHONPATH"], [1776, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1776, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1776, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1776, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1776, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1776, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1776, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1776, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1776, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1776, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1776, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1776, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1776, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1776, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1776, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1776, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1776, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1776, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1776, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1776, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1776, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1776, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1776, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1776, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1776, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1776, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1776, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1776, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1776, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1776, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1776, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1776, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1776, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1776, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1776, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1776, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1776, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA - h TRANSITION"], [1776, 9, 1, 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F. Herbst and M. Scheurer", "Test Suite", "AOShellCombinationsIterator", "AngularMomentumInt", "BSVec", "BasisExtents", "BasisFunctions", "BasisSet", "BlockOPoints", "BoysLocalizer", "CCWavefunction", "CIVector", "CIWavefunction", "CUHF", "CdSalc", "CdSalcList", "CharacterTable", "CompositeJK", "CorrelationFactor", "CorrelationTable", "CubeProperties", "DASUM", "DAXPY", "DCOPY", "DDOT", "DFEP2Wavefunction", "DFHelper", "DFSOMCSCF", "DFTGrid", "DFTensor", "DGBMV", "DGEEV", "DGEMM", "DGEMV", "DGER", "DGETRF", "DGETRI", "DGETRS", "DNRM2", "DPOTRF", "DPOTRI", "DPOTRS", "DROT", "DSBMV", "DSCAL", "DSWAP", "DSYEV", "DSYMM", "DSYMV", "DSYR", "DSYR2", "DSYR2K", "DSYRK", "DSYSV", "DTBMV", "DTBSV", "DTRMM", "DTRMV", "DTRSM", "DTRSV", "Deriv", "DerivCalcType", "DiagonalizeOrder", "Dimension", "DipoleInt", "DirectJK", "DiskSOMCSCF", "Dispersion", "ERI", "ESPPropCalc", "ElectricFieldInt", "ElectrostaticInt", "ExternalPotential", "FCHKWriter", "FDDS_Dispersion", "FISAPT", "FittedSlaterCorrelationFactor", "FittingMetric", "FragmentType", "Functional", "GaussianShell", "GaussianType", "GeometryUnits", "HF", "IDAMAX", "IO", "IOManager", "IntVector", "IntegralFactory", "IntegralTransform", "IrreducibleRepresentation", "JK", "KineticInt", "LS_THC_Computer", "LaplaceDenominator", "LibXCFunctional", "Localizer", "MOSpace", "MOWriter", "Matrix", "MatrixFactory", "MemDFJK", "MintsHelper", "MoldenWriter", "MolecularGrid", "Molecule", "MultipoleInt", "MultipoleSymmetry", "NablaInt", "NumIntHelper", "OEProp", "OneBodyAOInt", "OneBodySOInt", "Options", "OrbitalSpace", "OverlapInt", "PMLocalizer", "PetiteList", "PointFunctions", "PointGroup", "PotentialInt", "PrimitiveType", "Prop", "ProtoIntVector", "ProtoVector", "PsiReturnType", "QuadrupoleInt", "RHF", "RKSFunctions", "ROHF", "SADGuess", "SOBasisSet", "SOMCSCF", "SalcComponent", "SaveType", "ShellInfo", "Slice", "SuperFunctional", "SymmetryOperation", "TLaplaceDenominator", "ThreeCenterOverlapInt", "TracelessQuadrupoleInt", "TwoBodyAOInt", "TwoElectronInt", "UHF", "UKSFunctions", "VBase", "Vector", "Vector3", "Wavefunction", "array_variable", "array_variables", "be_quiet", "benchmark_blas1", "benchmark_blas2", "benchmark_blas3", "benchmark_disk", "benchmark_integrals", "benchmark_math", "ccdensity", "ccenergy", "cceom", "cchbar", "cclambda", "ccresponse", "cctransort", "cctriples", "clean", "clean_options", "clean_timers", "clean_variables", "close_outfile", "dct", "del_array_variable", "del_scalar_variable", "del_variable", "detci", "dfmp2", "dfocc", "dlpno", "dmrg", "doublet", "dpdbuf4", "dpdfile2", "dummy_einsums", "dummy_integratorxx", "fcidump_tei_helper", "finalize", "flush_outfile", "fnocc", "get_active_molecule", "get_array_variable", "get_array_variables", "get_datadir", "get_global_option", "get_global_option_list", "get_local_option", "get_memory", "get_num_threads", "get_option", "get_options", "get_output_file", "get_variable", "get_variables", "get_writer_file_prefix", "git_version", "has_array_variable", "has_global_option_changed", "has_local_option_changed", "has_option_changed", "has_scalar_variable", "has_variable", "initialize", "libint2_solid_harmonics_ordering", "mcscf", "mrcc_generate_input", "mrcc_load_densities", "occ", "option_exists_in_module", "options_to_python", "outfile_name", "plugin", "plugin_close", "plugin_close_all", "plugin_load", "prepare_options_for_module", "print_global_options", "print_options", "print_out", "print_variables", "psi_top_srcdir", "psimrcc", "psio_entry", "reopen_outfile", "revoke_global_option_changed", "revoke_local_option_changed", "sapt", "scalar_variable", "scalar_variables", "scatter", "scfgrad", "scfhess", "set_active_molecule", "set_array_variable", "set_datadir", "set_global_option", "set_global_option_python", "set_local_option", "set_local_option_python", "set_memory_bytes", "set_num_threads", "set_output_file", "set_psi_file_prefix", "set_scalar_variable", "set_variable", "test_matrix_dpd_interface", "timer_off", "timer_on", "triplet", "tstart", "tstop", "variable", "variables", "version", "AtomicComputer", "ConvergenceError", "EmpiricalDispersion", "ManagedMethodError", "MissingMethodError", "OptimizationConvergenceError", "ParsingError", "PastureRequiredError", "PsiException", "QMMM", "QMMMbohr", "SCFConvergenceError", "TDSCFConvergenceError", "TestComparisonError", "UpgradeHelper", "ValidationError", "activate", "banner", "basis_helper", "cbs", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "create_plugin", "cubeprop", "docs_table_link", "dynamic_variable_bind", "energies_from_fcidump", "energy", "fchk", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "freq", "frequencies", "frequency", "gdma", "geometry", "get_memory", "gradient", "hessian", "ipi_broker", "levenshtein", "libint2_configuration", "libint2_print_out", "mdi_run", "message_box", "molden", "molecule_get_attr", "molecule_set_attr", "oeprop", "opt", "optimize", "optimize_geometric", "DIIS", "Gaussian", "InPsight", "Lineshape", "Lorentzian", "OptionState", "OptionsState", "OptionsStateCM", "SolverEngine", "all_casings", "array_to_matrix", "banner", "basis_helper", "block_diagonal_array", "cg_solver", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "cubeprop", "davidson_solver", "docs_table_link", "drop_duplicates", "energies_from_fcidump", "expand_psivars", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "format_molecule_for_input", "format_options_for_input", "free_atom_volumes", "get_memory", "get_psifile", "getattr_ignorecase", "hamiltonian_solver", "hold_options_state", "import_ignorecase", "kwargs_lower", "levenshtein", "libint2_configuration", "libint2_print_out", "mat2arr", "message_box", "oeprop", "pcm_helper", "plump_qcvar", "prefactor_ecd", "prefactor_opa", "prepare_options_for_modules", "prepare_options_for_set_options", "provenance_stamp", "sanitize_method", "set_memory", "set_module_options", "set_options", "spectrum", "state_to_atomicinput", "pcm_helper", "process_input", "prop", "properties", "compare_vibinfos", "filter_nonvib", "filter_omega_to_real", "harmonic_analysis", "hessian_symmetrize", "print_molden_vibs", "print_vibs", "thermo", "sanitize_method", "sanitize_name", "scf_helper", "scf_wavefunction_factory", "set_memory", "set_module_options", "set_options", "tdscf", "vibanal_wfn", "Appendices", "<span class=\"xref std std-term\">CUTOFF_AMPS_PRINT</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">KIND</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">NUM_GUESSES</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">OPDM_ONLY</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITE_NOS</span>", "<span class=\"xref std std-term\">XI</span>", "<span class=\"xref std std-term\">XI_CONNECT</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">BCCD_MAXITER</span>", "<span class=\"xref std std-term\">BRUECKNER_ORBS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CC_OS_SCALE</span>", "<span class=\"xref std std-term\">CC_SS_SCALE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FORCE_RESTART</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_AMPS_PRINT</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PAIR_ENERGIES_PRINT</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">SCSN_MP2</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">T2_COUPLED</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC3_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST_CC3</span>", "<span class=\"xref std std-term\">COMPLEX_TOLERANCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EOM_GUESS</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">EXCITATION_RANGE</span>", "<span class=\"xref std std-term\">FULL_MATRIX</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_DO_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PRECONDITIONER</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OVERLAP_CHECK</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART_EOM_CC3</span>", "<span class=\"xref std std-term\">RHF_TRIPLETS</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SCHMIDT_ADD_RESIDUAL_TOLERANCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">SINGLES_PRINT</span>", "<span class=\"xref std std-term\">SS_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_SKIP_DIAG</span>", "<span class=\"xref std std-term\">SS_VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">VECS_CC3</span>", "<span class=\"xref std std-term\">VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">T_AMPS</span>", "<span class=\"xref std std-term\">WABEI_LOWDISK</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">JOBTYPE</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">LINEAR</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OMEGA</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DELETE_TEI</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RUN_CCTRANSORT</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CFOUR_ABCDTYPE</span>", "<span class=\"xref std std-term\">CFOUR_ACTIVE_ORBI</span>", "<span class=\"xref std std-term\">CFOUR_ANH_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_ANH_DERIVATIVES</span>", "<span class=\"xref std std-term\">CFOUR_ANH_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_ANH_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_ANHARMONIC</span>", "<span class=\"xref std std-term\">CFOUR_AO_LADDERS</span>", "<span class=\"xref std std-term\">CFOUR_AV_SCF</span>", "<span class=\"xref std std-term\">CFOUR_BASIS</span>", "<span class=\"xref std std-term\">CFOUR_BRUCK_CONV</span>", "<span class=\"xref std std-term\">CFOUR_BRUECKNER</span>", "<span class=\"xref std std-term\">CFOUR_CACHE_RECS</span>", "<span class=\"xref std std-term\">CFOUR_CALC_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_CC_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_CC_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CC_PROGRAM</span>", "<span class=\"xref std std-term\">CFOUR_CHARGE</span>", "<span class=\"xref std std-term\">CFOUR_CIS_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CONTINUUM</span>", "<span class=\"xref std std-term\">CFOUR_CONTRACTION</span>", "<span class=\"xref std std-term\">CFOUR_CONVERGENCE</span>", "<span class=\"xref std std-term\">CFOUR_COORDINATES</span>", "<span class=\"xref std std-term\">CFOUR_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_CONVER</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CURVILINEAR</span>", "<span class=\"xref std std-term\">CFOUR_DBOC</span>", "<span class=\"xref std std-term\">CFOUR_DCT</span>", "<span class=\"xref std std-term\">CFOUR_DERIV_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_DIFF_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_DROPMO</span>", "<span class=\"xref std std-term\">CFOUR_ECP</span>", "<span class=\"xref std std-term\">CFOUR_EIGENVECTOR</span>", "<span class=\"xref std std-term\">CFOUR_EL_ANHARM</span>", "<span class=\"xref std std-term\">CFOUR_EOM_NONIT</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_CONV</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_PROP</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_SYM</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_TRANS</span>", "<span class=\"xref std std-term\">CFOUR_EVAL_HESS</span>", "<span class=\"xref std std-term\">CFOUR_EXCITATION</span>", "<span class=\"xref std std-term\">CFOUR_EXCITE</span>", "<span class=\"xref std std-term\">CFOUR_FC_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_FD_CALCTYPE</span>", "<span class=\"xref std std-term\">CFOUR_FD_IRREPS</span>", "<span class=\"xref std std-term\">CFOUR_FD_PROJECT</span>", "<span class=\"xref std std-term\">CFOUR_FD_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_FD_USEGROUP</span>", "<span class=\"xref std std-term\">CFOUR_FILE_RECSIZ</span>", "<span class=\"xref std std-term\">CFOUR_FILE_STRIPE</span>", "<span class=\"xref std std-term\">CFOUR_FINITE_PERTURBATION</span>", "<span class=\"xref std std-term\">CFOUR_FOCK</span>", "<span class=\"xref std std-term\">CFOUR_FREQ_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_CORE</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_VIRT</span>", "<span class=\"xref std std-term\">CFOUR_GAMMA_ABCD</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_1</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_2</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_3</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_4</span>", "<span class=\"xref std std-term\">CFOUR_GEO_CONV</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_GEO_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_GIAO</span>", "<span class=\"xref std std-term\">CFOUR_GRID</span>", "<span class=\"xref std std-term\">CFOUR_GUESS</span>", "<span class=\"xref std std-term\">CFOUR_HBAR</span>", "<span class=\"xref std std-term\">CFOUR_HFSTABILITY</span>", "<span class=\"xref std std-term\">CFOUR_INCORE</span>", "<span class=\"xref std std-term\">CFOUR_INPUT_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_INTEGRALS</span>", "<span class=\"xref std std-term\">CFOUR_JODA_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_CONV</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_MAXCY</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_LOCK_ORBOCC</span>", "<span class=\"xref std std-term\">CFOUR_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_MEM_UNIT</span>", "<span class=\"xref std std-term\">CFOUR_MEMORY_SIZE</span>", "<span class=\"xref std std-term\">CFOUR_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_MULTIPLICITY</span>", "<span class=\"xref std std-term\">CFOUR_NACOUPLING</span>", "<span class=\"xref std std-term\">CFOUR_NEGEVAL</span>", "<span class=\"xref std std-term\">CFOUR_NEWNORM</span>", "<span class=\"xref std std-term\">CFOUR_NONHF</span>", "<span class=\"xref std std-term\">CFOUR_NTOP_TAMP</span>", "<span class=\"xref std std-term\">CFOUR_OCCUPATION</span>", "<span class=\"xref std std-term\">CFOUR_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">CFOUR_OPEN-SHELL</span>", "<span class=\"xref std std-term\">CFOUR_OPT_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_PERT_ORB</span>", "<span class=\"xref std std-term\">CFOUR_POINTS</span>", "<span class=\"xref std std-term\">CFOUR_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_PROP_INTEGRAL</span>", "<span class=\"xref std std-term\">CFOUR_PROPS</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_GENERAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_ORBITAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHFGUES</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_INT</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_ORB</span>", "<span class=\"xref std std-term\">CFOUR_RDO</span>", "<span class=\"xref std std-term\">CFOUR_REFERENCE</span>", "<span class=\"xref std std-term\">CFOUR_RELATIVISTIC</span>", "<span class=\"xref std std-term\">CFOUR_RELAX_DENS</span>", "<span class=\"xref std std-term\">CFOUR_RES_RAMAN</span>", "<span class=\"xref std std-term\">CFOUR_RESTART_CC</span>", "<span class=\"xref std std-term\">CFOUR_ROT_EVEC</span>", "<span class=\"xref std std-term\">CFOUR_SAVE_INTS</span>", "<span class=\"xref std std-term\">CFOUR_SCALE_ON</span>", "<span class=\"xref std std-term\">CFOUR_SCF_CONV</span>", "<span class=\"xref std std-term\">CFOUR_SCF_DAMPING</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPSTART</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_SCF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_SD_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_SPHERICAL</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_FLIP</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_ORBIT</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_SCAL</span>", "<span class=\"xref std std-term\">CFOUR_SPINROTATION</span>", "<span class=\"xref std std-term\">CFOUR_SUBGROUP</span>", "<span class=\"xref std std-term\">CFOUR_SYM_CHECK</span>", "<span class=\"xref std std-term\">CFOUR_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_T3_EXTRAPOL</span>", "<span class=\"xref std std-term\">CFOUR_TAMP_SUM</span>", "<span class=\"xref std std-term\">CFOUR_THERMOCHEMISTRY</span>", "<span class=\"xref std std-term\">CFOUR_TRANS_INV</span>", "<span class=\"xref std std-term\">CFOUR_TREAT_PERT</span>", "<span class=\"xref std std-term\">CFOUR_UIJ_THRESHOLD</span>", "<span class=\"xref std std-term\">CFOUR_UNITS</span>", "<span class=\"xref std std-term\">CFOUR_UPDATE_HESSIAN</span>", "<span class=\"xref std std-term\">CFOUR_VIBRATION</span>", "<span class=\"xref std std-term\">CFOUR_VTRAN</span>", "<span class=\"xref std std-term\">CFOUR_XFIELD</span>", "<span class=\"xref std std-term\">CFOUR_XFORM_TOL</span>", "<span class=\"xref std std-term\">CFOUR_YFIELD</span>", "<span class=\"xref std std-term\">CFOUR_ZFIELD</span>", "<span class=\"xref std std-term\">TRANSLATE_PSI4</span>", "<span class=\"xref std std-term\">CPHF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">CPHF_TASKS</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">EXPLICIT_HAMILTONIAN</span>", "<span class=\"xref std std-term\">MODULE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_PRECONDITION</span>", "<span class=\"xref std std-term\">ALGORITHM</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DCT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">DCT_GUESS</span>", "<span class=\"xref std std-term\">DCT_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_DCT</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">ENERGY_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">GUESS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">ODC_GUESS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">ORBITAL_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">QC_COUPLING</span>", "<span class=\"xref std std-term\">QC_TYPE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RELAX_GUESS_ORBITALS</span>", "<span class=\"xref std std-term\">RESPONSE_ALGORITHM</span>", "<span class=\"xref std std-term\">STABILITY_ADD_VECTORS</span>", "<span class=\"xref std std-term\">STABILITY_AUGMENT_SPACE_TOL</span>", "<span class=\"xref std std-term\">STABILITY_CHECK</span>", "<span class=\"xref std std-term\">STABILITY_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_MAX_SPACE_SIZE</span>", "<span class=\"xref std std-term\">STABILITY_N_EIGENVALUES</span>", "<span class=\"xref std std-term\">STABILITY_N_GUESS_VECTORS</span>", "<span class=\"xref std std-term\">THREE_PARTICLE</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">DDX_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DDX_ETA</span>", "<span class=\"xref std std-term\">DDX_FMM</span>", "<span class=\"xref std std-term\">DDX_FMM_LOCAL_LMAX</span>", "<span class=\"xref std std-term\">DDX_FMM_MULTIPOLE_LMAX</span>", "<span class=\"xref std std-term\">DDX_INCORE</span>", "<span class=\"xref std std-term\">DDX_LMAX</span>", "<span class=\"xref std std-term\">DDX_LOGFILE</span>", "<span class=\"xref std std-term\">DDX_MAXITER</span>", "<span class=\"xref std std-term\">DDX_MODEL</span>", "<span class=\"xref std std-term\">DDX_N_LEBEDEV</span>", "<span class=\"xref std std-term\">DDX_RADII</span>", "<span class=\"xref std std-term\">DDX_RADII_SCALING</span>", "<span class=\"xref std std-term\">DDX_RADII_SET</span>", "<span class=\"xref std std-term\">DDX_SHIFT</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLVATION_CONVERGENCE</span>", "<span class=\"xref std std-term\">DDX_SOLVENT</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON_OPTICAL</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_KAPPA</span>", "<span class=\"xref std std-term\">A_RAS3_MAX</span>", "<span class=\"xref std std-term\">AVG_STATES</span>", "<span class=\"xref std std-term\">AVG_WEIGHTS</span>", "<span class=\"xref std std-term\">B_RAS3_MAX</span>", "<span class=\"xref std std-term\">BENDAZZOLI</span>", "<span class=\"xref std std-term\">CALC_S_SQUARED</span>", "<span class=\"xref std std-term\">CC</span>", "<span class=\"xref std std-term\">CC_A_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_B_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL_MIN</span>", "<span class=\"xref std std-term\">CC_MACRO</span>", "<span class=\"xref std std-term\">CC_MIXED</span>", "<span class=\"xref std std-term\">CC_RAS34_MAX</span>", "<span class=\"xref std std-term\">CC_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_RAS4_MAX</span>", "<span class=\"xref std std-term\">CC_UPDATE_EPS</span>", "<span class=\"xref std std-term\">CC_VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_VARIATIONAL</span>", "<span class=\"xref std std-term\">CC_VECS_READ</span>", "<span class=\"xref std std-term\">CC_VECS_WRITE</span>", "<span class=\"xref std std-term\">CI_FILE_START</span>", "<span class=\"xref std std-term\">CI_MAXITER</span>", "<span class=\"xref std std-term\">CI_NUM_THREADS</span>", "<span class=\"xref std std-term\">CIBLKS_PRINT</span>", "<span class=\"xref std std-term\">COLLAPSE_SIZE</span>", "<span class=\"xref std std-term\">DETCI_FREEZE_CORE</span>", "<span class=\"xref std std-term\">DF_BASIS_MCSCF</span>", "<span class=\"xref std std-term\">DIAG_METHOD</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_FREQ</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_ITER</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EX_ALLOW</span>", "<span class=\"xref std std-term\">EX_LEVEL</span>", "<span class=\"xref std std-term\">FCI</span>", "<span class=\"xref std std-term\">FCI_STRINGS</span>", "<span class=\"xref std std-term\">FILTER_GUESS</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET1</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET2</span>", "<span class=\"xref std std-term\">FILTER_GUESS_SIGN</span>", "<span class=\"xref std std-term\">FILTER_ZERO_DET</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FOLLOW_VECTOR</span>", "<span class=\"xref std std-term\">GUESS_VECTOR</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING_SIZE</span>", "<span class=\"xref std std-term\">H0_BLOCKSIZE</span>", "<span class=\"xref std std-term\">H0_GUESS_SIZE</span>", "<span class=\"xref std std-term\">HD_AVG</span>", "<span class=\"xref std std-term\">HD_OTF</span>", "<span class=\"xref std std-term\">ICORE</span>", "<span class=\"xref std std-term\">ISTOP</span>", "<span class=\"xref std std-term\">LSE</span>", "<span class=\"xref std std-term\">LSE_COLLAPSE</span>", "<span class=\"xref std std-term\">LSE_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MCSCF_ALGORITHM</span>", "<span class=\"xref std std-term\">MCSCF_CI_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_ERROR_TYPE</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_FREQ</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_START</span>", "<span class=\"xref std std-term\">MCSCF_DPD_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_GUESS</span>", "<span class=\"xref std std-term\">MCSCF_MAX_ROT</span>", "<span class=\"xref std std-term\">MCSCF_MAXITER</span>", "<span class=\"xref std std-term\">MCSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_ROTATE</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_E</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_GRAD</span>", "<span class=\"xref std std-term\">MCSCF_TYPE</span>", "<span class=\"xref std std-term\">MIXED</span>", "<span class=\"xref std std-term\">MIXED4</span>", "<span class=\"xref std std-term\">MPN</span>", "<span class=\"xref std std-term\">MPN_ORDER_SAVE</span>", "<span class=\"xref std std-term\">MPN_SCHMIDT</span>", "<span class=\"xref std std-term\">MPN_WIGNER</span>", "<span class=\"xref std std-term\">MS0</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">NO_DFILE</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">NUM_DETS_PRINT</span>", "<span class=\"xref std std-term\">NUM_INIT_VECS</span>", "<span class=\"xref std std-term\">NUM_ROOTS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PRECONDITIONER</span>", "<span class=\"xref std std-term\">R4S</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RAS34_MAX</span>", "<span class=\"xref std std-term\">RAS3_MAX</span>", "<span class=\"xref std std-term\">RAS4_MAX</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">REFERENCE_SYM</span>", "<span class=\"xref std std-term\">REPL_OTF</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">S</span>", "<span class=\"xref std std-term\">SF_RESTRICT</span>", "<span class=\"xref std std-term\">SIGMA_OVERLAP</span>", "<span class=\"xref std std-term\">TDM</span>", "<span class=\"xref std std-term\">TPDM</span>", "<span class=\"xref std std-term\">UPDATE</span>", "<span class=\"xref std std-term\">VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">DF_BASIS_EP2</span>", "<span class=\"xref std std-term\">EP2_CONVERGENCE</span>", "<span class=\"xref std std-term\">EP2_MAXITER</span>", "<span class=\"xref std std-term\">EP2_NUM_EA</span>", "<span class=\"xref std std-term\">EP2_NUM_IP</span>", "<span class=\"xref std std-term\">EP2_ORBITALS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DFMP2_MEM_FACTOR</span>", "<span class=\"xref std std-term\">DFMP2_P2_TOLERANCE</span>", "<span class=\"xref std std-term\">DFMP2_P_TOLERANCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MADMP2_SLEEP</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">ONEPDM</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">CC_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">CC_DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">CC_LAMBDA</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CHOLESKY</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUT_S2</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">HESS_TYPE</span>", "<span class=\"xref std std-term\">INTEGRAL_CUTOFF</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LINEQ_SOLVER</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_DIIS_NUM_VECS</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MP2_AMP_TYPE</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OO_SCALE</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">PPL_TYPE</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">READ_SCF_3INDEX</span>", "<span class=\"xref std std-term\">REG_PARAM</span>", "<span class=\"xref std std-term\">REGULARIZATION</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">TRIPLES_IABC_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DLPNO_ALGORITHM</span>", "<span class=\"xref std std-term\">DLPNO_LOCAL_ORBITALS</span>", "<span class=\"xref std std-term\">DLPNO_MAXITER</span>", "<span class=\"xref std std-term\">DOI_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DOI_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DOI_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DOI_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">F_CUT</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">PNO_CONVERGENCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">S_CUT</span>", "<span class=\"xref std std-term\">T_CUT_CLMO</span>", "<span class=\"xref std std-term\">T_CUT_CPAO</span>", "<span class=\"xref std std-term\">T_CUT_DO</span>", "<span class=\"xref std std-term\">T_CUT_DO_IJ</span>", "<span class=\"xref std std-term\">T_CUT_DO_PRE</span>", "<span class=\"xref std std-term\">T_CUT_MKN</span>", "<span class=\"xref std std-term\">T_CUT_PNO</span>", "<span class=\"xref std std-term\">T_CUT_PRE</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_CALC</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IMAG</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IPEA</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_ORBS</span>", "<span class=\"xref std std-term\">DMRG_DIIS</span>", "<span class=\"xref std std-term\">DMRG_DIIS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_EXCITATION</span>", "<span class=\"xref std std-term\">DMRG_IRREP</span>", "<span class=\"xref std std-term\">DMRG_LOCAL_INIT</span>", "<span class=\"xref std std-term\">DMRG_MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MPS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MULTIPLICITY</span>", "<span class=\"xref std std-term\">DMRG_OPDM_AO_PRINT</span>", "<span class=\"xref std std-term\">DMRG_PRINT_CORR</span>", "<span class=\"xref std std-term\">DMRG_SCF_ACTIVE_SPACE</span>", "<span class=\"xref std std-term\">DMRG_SCF_DIIS_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_GRAD_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_MAX_ITER</span>", "<span class=\"xref std std-term\">DMRG_SCF_STATE_AVG</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_DVDSON_RTOL</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_ENERGY_CONV</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_MAX_SWEEPS</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_NOISE_PREFAC</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_STATES</span>", "<span class=\"xref std std-term\">DMRG_UNITARY_WRITE</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">EFP_DISP</span>", "<span class=\"xref std std-term\">EFP_DISP_DAMPING</span>", "<span class=\"xref std std-term\">EFP_ELST</span>", "<span class=\"xref std std-term\">EFP_ELST_DAMPING</span>", "<span class=\"xref std std-term\">EFP_EXCH</span>", "<span class=\"xref std std-term\">EFP_IND</span>", "<span class=\"xref std std-term\">EFP_IND_DAMPING</span>", "<span class=\"xref std std-term\">EFP_QM_ELST</span>", "<span class=\"xref std std-term\">EFP_QM_IND</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">QMEFP</span>", "<span class=\"xref std std-term\">DISP_SIZE</span>", "<span class=\"xref std std-term\">FD_PROJECT</span>", "<span class=\"xref std std-term\">GRADIENT_WRITE</span>", "<span class=\"xref std std-term\">HESSIAN_WRITE</span>", "<span class=\"xref std std-term\">NORMAL_MODES_WRITE</span>", "<span class=\"xref std std-term\">POINTS</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">FISAPT_CHARGE_COMPLETENESS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_DENSMAT</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIBOS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIHOS</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT_DISP</span>", "<span class=\"xref std std-term\">FISAPT_DO_PLOT</span>", "<span class=\"xref std std-term\">FISAPT_EXCH_PARPERP</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_EXCH_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_RESPONSE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ASSIGNMENT</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ORTHO</span>", "<span class=\"xref std std-term\">FISAPT_LINK_SELECTION</span>", "<span class=\"xref std std-term\">FISAPT_MANUAL_LINKS</span>", "<span class=\"xref std std-term\">FISAPT_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">FISAPT_PLOT_FILEPATH</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_IBO_CONDITION</span>", "<span class=\"xref std std-term\">LOCAL_IBO_POWER</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS_COMPLETENESS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_USE_STARS</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">LOCAL_USE_GHOSTS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MINAO_BASIS</span>", "<span class=\"xref std std-term\">SSAPT0_SCALE</span>", "<span class=\"xref std std-term\">ACTIVE_NAT_ORBS</span>", "<span class=\"xref std std-term\">BRUECKNER_MAXITER</span>", "<span class=\"xref std std-term\">CC_SCALE_OS</span>", "<span class=\"xref std std-term\">CC_SCALE_SS</span>", "<span class=\"xref std std-term\">CC_TIMINGS</span>", "<span class=\"xref std std-term\">CEPA_LEVEL</span>", "<span class=\"xref std std-term\">CEPA_NO_SINGLES</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUTE_MP4_TRIPLES</span>", "<span class=\"xref std std-term\">COMPUTE_TRIPLES</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DFCC</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_SCALE_OS</span>", "<span class=\"xref std std-term\">MP2_SCALE_SS</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_PERCENTAGE</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RUN_CCSD</span>", "<span class=\"xref std std-term\">RUN_CEPA</span>", "<span class=\"xref std std-term\">RUN_MP2</span>", "<span class=\"xref std std-term\">RUN_MP3</span>", "<span class=\"xref std std-term\">RUN_MP4</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_CEPA</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">TRIPLES_LOW_MEMORY</span>", "<span class=\"xref std std-term\">USE_DF_INTS</span>", "<span class=\"xref std std-term\">GDMA_LIMIT</span>", "<span class=\"xref std std-term\">GDMA_MULTIPOLE_UNITS</span>", "<span class=\"xref std std-term\">GDMA_ORIGIN</span>", "<span class=\"xref std std-term\">GDMA_RADIUS</span>", "<span class=\"xref std std-term\">GDMA_SWITCH</span>", "<span class=\"xref std std-term\">ACTIVE</span>", "<span class=\"xref std std-term\">BASIS_RELATIVISTIC</span>", "<span class=\"xref std std-term\">BENCH</span>", "<span class=\"xref std std-term\">BRIANQC_ENABLE</span>", "<span class=\"xref std std-term\">CC_TYPE</span>", "<span class=\"xref std std-term\">CI_TYPE</span>", "<span class=\"xref std std-term\">CUBEPROP_BASIS_FUNCTIONS</span>", "<span class=\"xref std std-term\">CUBEPROP_FILEPATH</span>", "<span class=\"xref std std-term\">CUBEPROP_ISOCONTOUR_THRESHOLD</span>", "<span class=\"xref std std-term\">CUBEPROP_ORBITALS</span>", "<span class=\"xref std std-term\">CUBEPROP_TASKS</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">DDX</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DIE_IF_NOT_CONVERGED</span>", "<span class=\"xref std std-term\">DKH_ORDER</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">EXTERNAL_POTENTIAL_SYMMETRY</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">FREEZE_CORE_POLICY</span>", "<span class=\"xref std std-term\">FROZEN_DOCC</span>", "<span class=\"xref std std-term\">FROZEN_UOCC</span>", "<span class=\"xref std std-term\">INTEGRAL_PACKAGE</span>", "<span class=\"xref std std-term\">LITERAL_CFOUR</span>", "<span class=\"xref std std-term\">LS_THC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">LS_THC_DF</span>", "<span class=\"xref std std-term\">LS_THC_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">LS_THC_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_S_EPSILON</span>", "<span class=\"xref std std-term\">LS_THC_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAT_NUM_COLUMN_PRINT</span>", "<span class=\"xref std std-term\">MAX_RADIAL_MOMENT</span>", "<span class=\"xref std std-term\">MBIS_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">MBIS_MAXITER</span>", "<span class=\"xref std std-term\">MBIS_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">MBIS_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">MBIS_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">MOLDEN_WITH_VIRTUAL</span>", "<span class=\"xref std std-term\">MP2_TYPE</span>", "<span class=\"xref std std-term\">MP_TYPE</span>", "<span class=\"xref std std-term\">NUM_FROZEN_DOCC</span>", "<span class=\"xref std std-term\">NUM_FROZEN_UOCC</span>", "<span class=\"xref std std-term\">PARENT_SYMMETRY</span>", "<span class=\"xref std std-term\">PCM</span>", "<span class=\"xref std std-term\">PE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">PRINT_NOONS</span>", "<span class=\"xref std std-term\">PROPERTIES</span>", "<span class=\"xref std std-term\">PROPERTIES_ORIGIN</span>", "<span class=\"xref std std-term\">PUREAM</span>", "<span class=\"xref std std-term\">QC_MODULE</span>", "<span class=\"xref std std-term\">RAS1</span>", "<span class=\"xref std std-term\">RAS2</span>", "<span class=\"xref std std-term\">RAS3</span>", "<span class=\"xref std std-term\">RAS4</span>", "<span class=\"xref std std-term\">RELATIVISTIC</span>", "<span class=\"xref std std-term\">RESTRICTED_DOCC</span>", "<span class=\"xref std std-term\">RESTRICTED_UOCC</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SCREENING</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITER_FILE_LABEL</span>", "<span class=\"xref std std-term\">CANONICALIZE_ACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CANONICALIZE_INACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CI_DIIS</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG</span>", "<span class=\"xref std std-term\">FAVG_START</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FORCE_TWOCON</span>", "<span class=\"xref std std-term\">INTERNAL_ROTATIONS</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROTATE_MO_ANGLE</span>", "<span class=\"xref std std-term\">ROTATE_MO_IRREP</span>", "<span class=\"xref std std-term\">ROTATE_MO_P</span>", "<span class=\"xref std std-term\">ROTATE_MO_Q</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">TURN_ON_ACTV</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">OMEGA_ERF</span>", "ADC", "CCDENSITY", "CCENERGY", "CCEOM", "CCHBAR", "CCLAMBDA", "CCRESPONSE", "CCTRANSORT", "CCTRIPLES", "CFOUR", "CPHF", "DCT", "DDX", "DETCI", "DFEP2", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FINDIF", "FISAPT", "FNOCC", "GDMA", "GLOBALS", "MCSCF", "MINTS", "MRCC", "OCC", "OPTKING", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MRCC_LEVEL</span>", "<span class=\"xref std std-term\">MRCC_METHOD</span>", "<span class=\"xref std std-term\">MRCC_NUM_DOUBLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_SINGLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_TRIPLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">MRCC_RESTART</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CCL_ENERGY</span>", "<span class=\"xref std std-term\">CEPA_OS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SOS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_TYPE</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EA_POLES</span>", "<span class=\"xref std std-term\">EKT_EA</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">EP_EA_POLES</span>", "<span class=\"xref std std-term\">EP_IP_POLES</span>", "<span class=\"xref std std-term\">EP_MAXITER</span>", "<span class=\"xref std std-term\">IP_POLES</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MO_WRITE</span>", "<span class=\"xref std std-term\">MOGRAD_DAMPING</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">OS_SCALE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RELAXED</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">SPIN_SCALE_TYPE</span>", "<span class=\"xref std std-term\">SS_SCALE</span>", "<span class=\"xref std std-term\">SYMMETRIZE</span>", "<span class=\"xref std std-term\">TPDM_ABCD_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">ADD_AUXILIARY_BONDS</span>", "<span class=\"xref std std-term\">AUXILIARY_BOND_FACTOR</span>", "<span class=\"xref std std-term\">CART_HESS_READ</span>", "<span class=\"xref std std-term\">CARTESIAN_SYM_TOLERANCE</span>", "<span class=\"xref std std-term\">CONSECUTIVE_BACKSTEPS</span>", "<span class=\"xref std std-term\">COVALENT_CONNECT</span>", "<span class=\"xref std std-term\">CUSTOM_COORDS</span>", "<span class=\"xref std std-term\">DYNAMIC_LEVEL</span>", "<span class=\"xref std std-term\">ENSURE_BT_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_BEND</span>", "<span class=\"xref std std-term\">EXT_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">EXT_FORCE_DIHEDRAL</span>", "<span class=\"xref std std-term\">EXT_FORCE_DISTANCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_OOFP</span>", "<span class=\"xref std std-term\">FLEXIBLE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">FRAG_MODE</span>", "<span class=\"xref std std-term\">FRAG_REF_ATOMS</span>", "<span class=\"xref std std-term\">FREEZE_ALL_DIHEDRALS</span>", "<span class=\"xref std std-term\">FREEZE_INTERFRAG</span>", "<span class=\"xref std std-term\">FREEZE_INTRAFRAG</span>", "<span class=\"xref std std-term\">FROZEN_BEND</span>", "<span class=\"xref std std-term\">FROZEN_CARTESIAN</span>", "<span class=\"xref std std-term\">FROZEN_DIHEDRAL</span>", "<span class=\"xref std std-term\">FROZEN_DISTANCE</span>", "<span class=\"xref std std-term\">FROZEN_OOFP</span>", "<span class=\"xref std std-term\">FULL_HESS_EVERY</span>", "<span class=\"xref std std-term\">G_CONVERGENCE</span>", "<span class=\"xref std std-term\">GEOM_MAXITER</span>", "<span class=\"xref std std-term\">H_BOND_CONNECT</span>", "<span class=\"xref std std-term\">H_GUESS_EVERY</span>", "<span class=\"xref std std-term\">H_UPDATE_DEN_TOL</span>", "<span class=\"xref std std-term\">HESS_UPDATE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_MAX</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_SCALE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_USE_LAST</span>", "<span class=\"xref std std-term\">INTCOS_GENERATE_EXIT</span>", "<span class=\"xref std std-term\">INTERFRAG_COLLINEAR_TOL</span>", "<span class=\"xref std std-term\">INTERFRAG_COORDS</span>", "<span class=\"xref std std-term\">INTERFRAG_DIST_INV</span>", "<span class=\"xref std std-term\">INTERFRAG_HESS</span>", "<span class=\"xref std std-term\">INTERFRAG_MODE</span>", "<span class=\"xref std std-term\">INTERFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTERFRAGMENT_CONNECT</span>", "<span class=\"xref std std-term\">INTRAFRAG_HESS</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MAX</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MIN</span>", "<span class=\"xref std std-term\">IRC_DIRECTION</span>", "<span class=\"xref std std-term\">IRC_POINTS</span>", "<span class=\"xref std std-term\">IRC_STEP_SIZE</span>", "<span class=\"xref std std-term\">MAX_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_ENERGY_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">OPT_COORDINATES</span>", "<span class=\"xref std std-term\">OPT_RESTART</span>", "<span class=\"xref std std-term\">OPT_TYPE</span>", "<span class=\"xref std std-term\">PRINT_OPT_PARAMS</span>", "<span class=\"xref std std-term\">PRINT_TRAJECTORY_XYZ_FILE</span>", "<span class=\"xref std std-term\">RANGED_BEND</span>", "<span class=\"xref std std-term\">RANGED_DIHEDRAL</span>", "<span class=\"xref std std-term\">RANGED_DISTANCE</span>", "<span class=\"xref std std-term\">RANGED_OOFP</span>", "<span class=\"xref std std-term\">RFO_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">RFO_NORMALIZATION_MAX</span>", "<span class=\"xref std std-term\">RFO_ROOT</span>", "<span class=\"xref std std-term\">RMS_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RMS_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RSRFO_ALPHA_MAX</span>", "<span class=\"xref std std-term\">SAVE_OPTIMIZATION</span>", "<span class=\"xref std std-term\">STEP_TYPE</span>", "<span class=\"xref std std-term\">TEST_B</span>", "<span class=\"xref std std-term\">TEST_DERIVATIVE_B</span>", "<span class=\"xref std std-term\">UNFREEZE_DIHEDRALS</span>", "<span class=\"xref std std-term\">WRITE_OPT_HISTORY</span>", "<span class=\"xref std std-term\">WRITE_OPT_RESULT</span>", "<span class=\"xref std std-term\">WRITE_TRAJECTORY</span>", "<span class=\"xref std std-term\">PCM_CC_TYPE</span>", "<span class=\"xref std std-term\">PCM_SCF_TYPE</span>", "<span class=\"xref std std-term\">PCMSOLVER_PARSED_FNAME</span>", "<span class=\"xref std std-term\">BORDER</span>", "<span class=\"xref std std-term\">BORDER_N_REDIST</span>", "<span class=\"xref std std-term\">BORDER_REDIST_ORDER</span>", "<span class=\"xref std std-term\">BORDER_REDIST_POL</span>", "<span class=\"xref std std-term\">BORDER_RMIN</span>", "<span class=\"xref std std-term\">BORDER_RMIN_UNIT</span>", "<span class=\"xref std std-term\">BORDER_TYPE</span>", "<span class=\"xref std std-term\">DAMP_INDUCED</span>", "<span class=\"xref std std-term\">DAMP_MULTIPOLE</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_INDUCED</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_MULTIPOLE</span>", "<span class=\"xref std std-term\">INDUCED_CONVERGENCE</span>", "<span class=\"xref std std-term\">ISOTROPIC_POL</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">PE_ECP</span>", "<span class=\"xref std std-term\">POTFILE</span>", "<span class=\"xref std std-term\">SUMMATION_FIELDS</span>", "<span class=\"xref std std-term\">TREE_EXPANSION_ORDER</span>", "<span class=\"xref std std-term\">TREE_THETA</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CORR_ANSATZ</span>", "<span class=\"xref std std-term\">CORR_CCSD_T</span>", "<span class=\"xref std std-term\">CORR_CHARGE</span>", "<span class=\"xref std std-term\">CORR_MULTP</span>", "<span class=\"xref std std-term\">CORR_WFN</span>", "<span class=\"xref std std-term\">COUPLING</span>", "<span class=\"xref std std-term\">COUPLING_TERMS</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">DIAGONALIZE_HEFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG_CCSD_T</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">HEFF4</span>", "<span class=\"xref std std-term\">HEFF_PRINT</span>", "<span class=\"xref std std-term\">LOCK_SINGLET</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_CCSD_METHOD</span>", "<span class=\"xref std std-term\">MP2_GUESS</span>", "<span class=\"xref std std-term\">NO_SINGLES</span>", "<span class=\"xref std std-term\">OFFDIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">PERTURB_CBS</span>", "<span class=\"xref std std-term\">PERTURB_CBS_COUPLING</span>", "<span class=\"xref std std-term\">PT_ENERGY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SMALL_CUTOFF</span>", "<span class=\"xref std std-term\">TIKHONOW_MAX</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">TIKHONOW_TRIPLES</span>", "<span class=\"xref std std-term\">TRIPLES_ALGORITHM</span>", "<span class=\"xref std std-term\">TRIPLES_DIIS</span>", "<span class=\"xref std std-term\">USE_SPIN_SYM</span>", "<span class=\"xref std std-term\">USE_SPIN_SYMMETRY</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">ZERO_INTERNAL_AMPS</span>", "<span class=\"xref std std-term\">AIO_CPHF</span>", "<span class=\"xref std std-term\">AIO_DF_INTS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">CCD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">CCD_MAXITER</span>", "<span class=\"xref std std-term\">CCD_T_CONVERGENCE</span>", "<span class=\"xref std std-term\">COUPLED_INDUCTION</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">DENOMINATOR_ALGORITHM</span>", "<span class=\"xref std std-term\">DENOMINATOR_DELTA</span>", "<span class=\"xref std std-term\">DF_BASIS_ELST</span>", "<span class=\"xref std std-term\">DF_BASIS_SAPT</span>", "<span class=\"xref std std-term\">DO_CCD_DISP</span>", "<span class=\"xref std std-term\">DO_DISP_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND30_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_MBPT_DISP</span>", "<span class=\"xref std std-term\">DO_THIRD_ORDER</span>", "<span class=\"xref std std-term\">EXCH_SCALE_ALPHA</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MIN_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">NAT_ORBS_T2</span>", "<span class=\"xref std std-term\">NAT_ORBS_T3</span>", "<span class=\"xref std std-term\">NAT_ORBS_V4</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SAPT0_E10</span>", "<span class=\"xref std std-term\">SAPT0_E20DISP</span>", "<span class=\"xref std std-term\">SAPT0_E20IND</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_DHF</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_HYBRID</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_FIXED_SCALE</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_SCALE_SCHEME</span>", "<span class=\"xref std std-term\">SAPT_DFT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_DETERMINATION</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_A</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_B</span>", "<span class=\"xref std std-term\">SAPT_DFT_MP2_DISP_ALG</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_LEG_LAMBDA</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_NUM_POINTS</span>", "<span class=\"xref std std-term\">SAPT_FDDS_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">SAPT_LEVEL</span>", "<span class=\"xref std std-term\">SAPT_MEM_CHECK</span>", "<span class=\"xref std std-term\">SAPT_MEM_FACTOR</span>", "<span class=\"xref std std-term\">SAPT_MEM_SAFETY</span>", "<span class=\"xref std std-term\">SAPT_QUIET</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">BASIS_GUESS</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_MAXITER_FINAL</span>", "<span class=\"xref std std-term\">COSX_OVERLAP_FITTING</span>", "<span class=\"xref std std-term\">COSX_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DF_BASIS_GUESS</span>", "<span class=\"xref std std-term\">DF_BASIS_SAD</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">DF_BUMP_R0</span>", "<span class=\"xref std std-term\">DF_BUMP_R1</span>", "<span class=\"xref std std-term\">DF_DOMAINS</span>", "<span class=\"xref std std-term\">DF_FITTING_CONDITION</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DF_METRIC</span>", "<span class=\"xref std std-term\">DF_SCF_GUESS</span>", "<span class=\"xref std std-term\">DF_THETA</span>", "<span class=\"xref std std-term\">DFT_ALPHA</span>", "<span class=\"xref std std-term\">DFT_ALPHA_C</span>", "<span class=\"xref std std-term\">DFT_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_RADIUS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MIN_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_SCHEME</span>", "<span class=\"xref std std-term\">DFT_BS_RADIUS_ALPHA</span>", "<span class=\"xref std std-term\">DFT_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">DFT_GRAC_ALPHA</span>", "<span class=\"xref std std-term\">DFT_GRAC_BETA</span>", "<span class=\"xref std std-term\">DFT_GRAC_C_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRAC_SHIFT</span>", "<span class=\"xref std std-term\">DFT_GRAC_X_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRID_NAME</span>", "<span class=\"xref std std-term\">DFT_NUCLEAR_SCHEME</span>", "<span class=\"xref std std-term\">DFT_OMEGA</span>", "<span class=\"xref std std-term\">DFT_OMEGA_C</span>", "<span class=\"xref std std-term\">DFT_PRUNING_ALPHA</span>", "<span class=\"xref std std-term\">DFT_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DFT_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_REMOVE_DISTANT_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_B</span>", "<span class=\"xref std std-term\">DFT_VV10_C</span>", "<span class=\"xref std std-term\">DFT_VV10_POSTSCF</span>", "<span class=\"xref std std-term\">DFT_VV10_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_VV10_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_RMS_ERROR</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">DISTRIBUTED_MATRIX</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXTERN</span>", "<span class=\"xref std std-term\">FAIL_ON_MAXITER</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_INCREMENT</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_SCALE</span>", "<span class=\"xref std std-term\">FRAC_DIIS</span>", "<span class=\"xref std std-term\">FRAC_LOAD</span>", "<span class=\"xref std std-term\">FRAC_OCC</span>", "<span class=\"xref std std-term\">FRAC_RENORMALIZE</span>", "<span class=\"xref std std-term\">FRAC_START</span>", "<span class=\"xref std std-term\">FRAC_VAL</span>", "<span class=\"xref std std-term\">GUESS</span>", "<span class=\"xref std std-term\">GUESS_MIX</span>", "<span class=\"xref std std-term\">GUESS_PERSIST</span>", "<span class=\"xref std std-term\">INCFOCK</span>", "<span class=\"xref std std-term\">INCFOCK_CONVERGENCE</span>", "<span class=\"xref std std-term\">INCFOCK_FULL_FOCK_EVERY</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT_CUTOFF</span>", "<span class=\"xref std std-term\">LINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">MAX_ATTEMPTS</span>", "<span class=\"xref std std-term\">MAX_MEM_BUF</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MOM_OCC</span>", "<span class=\"xref std std-term\">MOM_START</span>", "<span class=\"xref std std-term\">MOM_VIR</span>", "<span class=\"xref std std-term\">NL_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">ONEPOT_GRID_READ</span>", "<span class=\"xref std std-term\">ORBITALS_WRITE</span>", "<span class=\"xref std std-term\">PARALLEL</span>", "<span class=\"xref std std-term\">PERTURB_DIPOLE</span>", "<span class=\"xref std std-term\">PERTURB_H</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PERTURB_WITH</span>", "<span class=\"xref std std-term\">PHI_POINTS</span>", "<span class=\"xref std std-term\">PK_ALL_NONSYM</span>", "<span class=\"xref std std-term\">PK_MAX_BUCKETS</span>", "<span class=\"xref std std-term\">PRINT_BASIS</span>", "<span class=\"xref std std-term\">PRINT_MOS</span>", "<span class=\"xref std std-term\">PROCESS_GRID</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_POINTS</span>", "<span class=\"xref std std-term\">RADIUS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">S_CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">S_ORTHOGONALIZATION</span>", "<span class=\"xref std std-term\">S_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_CHOL_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_FRAC_OCC</span>", "<span class=\"xref std std-term\">SAD_MAXITER</span>", "<span class=\"xref std std-term\">SAD_PRINT</span>", "<span class=\"xref std std-term\">SAD_SCF_TYPE</span>", "<span class=\"xref std std-term\">SAD_SPIN_AVERAGE</span>", "<span class=\"xref std std-term\">SAPGAU_BASIS</span>", "<span class=\"xref std std-term\">SAPT</span>", "<span class=\"xref std std-term\">SAVE_JK</span>", "<span class=\"xref std std-term\">SAVE_UHF_NOS</span>", "<span class=\"xref std std-term\">SCF_INITIAL_ACCELERATOR</span>", "<span class=\"xref std std-term\">SCF_INITIAL_FINISH_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_INITIAL_START_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">SCF_PROPERTIES</span>", "<span class=\"xref std std-term\">SCF_SUBTYPE</span>", "<span class=\"xref std std-term\">SNLINK_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">SNLINK_GPU_MEM</span>", "<span class=\"xref std std-term\">SNLINK_GRID_BATCH_SIZE</span>", "<span class=\"xref std std-term\">SNLINK_INTEGRATOR_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_LOAD_BALANCER_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_LWD_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_MOL_WEIGHTS_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">SNLINK_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">SNLINK_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">SNLINK_REDUCTION_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">SNLINK_USE_DEBUG_GRID</span>", "<span class=\"xref std std-term\">SNLINK_USE_GPU</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_N_ROOT</span>", "<span class=\"xref std std-term\">SOLVER_ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SOSCF</span>", "<span class=\"xref std std-term\">SOSCF_CONV</span>", "<span class=\"xref std std-term\">SOSCF_MAX_ITER</span>", "<span class=\"xref std std-term\">SOSCF_MIN_ITER</span>", "<span class=\"xref std std-term\">SOSCF_PRINT</span>", "<span class=\"xref std std-term\">SOSCF_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_ANALYSIS</span>", "<span class=\"xref std std-term\">TDSCF_COEFF_CUTOFF</span>", "<span class=\"xref std std-term\">TDSCF_GUESS</span>", "<span class=\"xref std std-term\">TDSCF_MAXITER</span>", "<span class=\"xref std std-term\">TDSCF_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">TDSCF_STATES</span>", "<span class=\"xref std std-term\">TDSCF_TDA</span>", "<span class=\"xref std std-term\">TDSCF_TDM_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_TRIPLETS</span>", "<span class=\"xref std std-term\">THETA_POINTS</span>", "<span class=\"xref std std-term\">THICKNESS</span>", "<span class=\"xref std std-term\">TILE_SZ</span>", "<span class=\"xref std std-term\">UHF_NOONS</span>", "<span class=\"xref std std-term\">WCOMBINE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">P</span>", "<span class=\"xref std std-term\">ROTATIONAL_SYMMETRY_NUMBER</span>", "<span class=\"xref std std-term\">T</span>", "ADC", "CCENERGY", "CFOUR", "DCT", "DDX", "DETCI", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FISAPT", "FNOCC", "GDMA", "MCSCF", "MRCC", "OCC", "OEPROP", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "HSG", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "Keywords by Alpha", "Keywords by Module", "Physical Constants", "&lt;no title&gt;", "PSIOH Intermediate Files", "PSI Variables by Module", "BRIANQC", "CFOUR", "CHEMPS2", "COOKBOOK", "&lt;no title&gt;", "DFTD3", "DFTD4", "DKH", "GCP", "GDMA", "GPU_DFCC", "JSON", "LIBEFP", "MRCC", "PCMSOLVER", "PSI4NUMPY", "PYTHON", "SIMINT", "SNSMP2", "V2RDM_CASSCF", "Basis Sets", "Basis Sets by Element", "Auxiliary Basis Sets", "Basis Sets by Family", "Bibliography", "Interface to the BrianQC GPU module by the BrianQC team", "Build &amp; Run FAQ", "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Compiling and Installing from Source", "Capabilities and Alternate Implementations", "Complete Basis Set", "&lt;no title&gt;", "CC: Coupled Cluster Theory", "Interface to CFOUR by J. Stanton &amp; J. Gauss", "&lt;no title&gt;", "&lt;no title&gt;", "Interface to CheMPS2 by S. Wouters", "Code style conventions", "Conda Binary Distribution", "Interface to CPPE by M. Scheurer", "Generation of Cube Files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">cubeprop()</span></code>", "Customization: Adding Simple Extensions", "Database \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">database()</span></code>", "DCT: Density Cumulant Theory", "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst", "CI: Configuration Interaction", "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory", "DFT: Density Functional Theory", "DFT Functionals", "Interface to DFTD3 by S. Grimme", "DFT-NL", "Spectroscopic Constants for Diatomics", "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess", "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2", "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual", "Interface to LibECPInt by R. Shaw", "Single-Point Energy \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">energy()</span></code>", "Installation and Runtime Configuration", "External API Objects", "Interface to programs through FCHK files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">fchk()</span></code>", "F/I-SAPT: Functional Group and/or Intramolecular SAPT", "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4", "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">frequency()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">hessian()</span></code>", "Interface to gau2grid by D. G. A. Smith", "Interface to gCP by S. Grimme", "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gdma()</span></code>", "PSI Variables by Alpha", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry", "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial", "Function Intercalls", "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities", "Introduction", "Interface to LIBEFP by I. Kaliman", "Interface to Libint by E. Valeev", "Interface to Libxc by M. A. L. Marques", "Adding Add-Ons", "Git, Versioning", "Managing: Git, Conda, CMake and all that", "Release Procedures", "MCSCF: Multi-Configurational Self-Consistent-Field", "Theoretical Methods: SCF to FCI", "Interface to Molden \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">molden()</span></code>", "Interface to MRCC by M. K\u00e1llay", "&lt;no title&gt;", "Basis Set Superposition Corrections", "Notes on Options", "Notes on Options", "Interface to NumPy", "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories", "Evaluation of One-Electron Properties \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">oeprop()</span></code>", "Geometry Optimization \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">optimize()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gradient()</span></code>", "LibOptions: globals, locals, has_changed and all that", "Geometry Optimization", "Interface to PCMSolver by R. Di Remigio", "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA", "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw", "Plugin v2rdm_casscf by A. E. DePrince", "Creating New Plugins", "Adding Methods to Driver", "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Community Code of Conduct", "Programming with the Core Libraries", "Debugging and Profiling", "Programmers FAQ", "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Where to Get Help", "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Adding New Code to <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Setting Up Your Development Environment", "C++ Style", "Python Style", "General layout of the core: where new C++ code should live", "Ways to Add Code: Psi4NumPy, Plugins, Full Integration", "Welcome to New Programmers", "Property", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> API: Linking C++ and Python", "PsiAPI Tutorial: Using Psi4 as a Python Module", "PSIMRCC Implementation of Mk-MRCC Theory", "PsiPEP: Plans and Practices to Organize <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psithon Functions: Invoking a Calculation", "Psithon: Structuring an Input File", "Molecule and Geometry Specification", "Defining a Method Alias", "Creating a Database", "Scalar relativistic Hamiltonians", "SAPT: Symmetry-Adapted Perturbation Theory", "HF: Hartree\u2013Fock Theory", "Interface to SIMINT by B. Pritchard", "Embarrassing Parallelism", "TDSCF: Time-dependent Hartree\u2013Fock and density-functional theory", "Test Suite and Sample Inputs", "Vibrational and Thermochemical Analysis", "Psithon Tutorial: Using <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> as an Executable"], "titleterms": {"": [884, 1210, 1735, 1738, 1746, 1759, 1774, 1785, 1837], "0": 1821, "1": [1733, 1770, 1838], "2": 1788, "2nd": 1756, "3": 1788, "3rc1": 1788, "4": [1694, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1706, 1707, 1708, 1731, 1732, 1733, 1735, 1736, 1737, 1738, 1739, 1742, 1743, 1746, 1748, 1758, 1764, 1777, 1778, 1780, 1781, 1797, 1799, 1802, 1804, 1810, 1814, 1815, 1816, 1817, 1818, 1819, 1824, 1825, 1827, 1830, 1833, 1838, 1844], "8": 1788, "82": [1694, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1706, 1707, 1708, 1731, 1732, 1733, 1735, 1736, 1737, 1739, 1742, 1743, 1746, 1748, 1758, 1764, 1777, 1778, 1780, 1781, 1797, 1799, 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"algebra": [1781, 1810], "algorithm": [726, 1208, 1210, 1226, 1231, 1739, 1742, 1753, 1756, 1757, 1771, 1781, 1798, 1817, 1838], "alia": 1834, "alias": 1740, "all": [1758, 1787, 1801], "all_cas": 330, "allow": 1799, "alpha": [1704, 1776], "altern": [1210, 1739], "an": [1748, 1785, 1786, 1832, 1844], "ana": 1748, "anaconda": 1738, "analysi": [1770, 1772, 1775, 1828, 1838, 1843, 1844], "analyt": [1739, 1742, 1753, 1756, 1757, 1771, 1781, 1798], "analyz": [429, 536, 1199, 1203], "angular": 1738, "angularmomentumint": 4, "annot": 1786, "annual": 1788, "anticip": 1788, "ao": 1810, "ao_basi": [411, 430, 513, 557, 727, 1198, 1199, 1202, 1204, 1208], "aoshellcombinationsiter": 3, "api": [1740, 1768, 1772, 1794, 1827], "appendic": 400, "appli": 1747, "approach": 1808, "approv": 1738, "approxim": [1771, 1837], "ar": 1738, "arbitrari": 1755, "arrai": 1797, "array_to_matrix": 331, "array_vari": [151, 152], "ascii": 1786, "assembl": 1788, "atom": 1833, "atomiccomput": 265, "author": 1788, "auto": 1821, "auxiliari": [1694, 1708, 1732], "auxiliary_bond_factor": [1226, 1299], "avail": [0, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1707, 1731, 1733, 1738, 1752, 1758, 1781, 1802, 1817, 1838], "avg_stat": [783, 1210], "avg_weight": [784, 1210], "avoid": 1824, "b": [1762, 1839], "b_ras3_max": [785, 1210], "bakerjcc93": [1692, 1752], "bakerjcc96": [1692, 1752], "banner": [282, 332], "base": [1754, 1763, 1810], "basi": [400, 898, 1195, 1212, 1223, 1230, 1231, 1437, 1484, 1694, 1707, 1730, 1731, 1732, 1733, 1738, 1740, 1771, 1794, 1799, 1832, 1836, 1837], "basic": [1692, 1742, 1752, 1755, 1771, 1789, 1797, 1798, 1799, 1802, 1828, 1837, 1844], "basis_guess": [1231, 1485], "basis_help": [283, 333], "basis_relativist": [1103, 1221, 1836], "basisext": 6, "basisfunct": 7, "basisset": 8, "bbi": [1692, 1752], "bccd_maxit": [431, 1199], "be_quiet": 153, "befor": 1788, "bench": [1104, 1221], "bench12": [1692, 1752], "benchmark_blas1": 154, "benchmark_blas2": 155, "benchmark_blas3": 156, "benchmark_disk": 157, "benchmark_integr": 158, "benchmark_math": 159, "bendazzoli": [786, 1210], "bibliographi": 1734, "binari": [1736, 1737, 1748, 1808], "bla": [1738, 1810], "block": 1817, "block_diagonal_arrai": 334, "blockopoint": 9, "bodi": [1759, 1771], "bond": [1833, 1837], "border": [1228, 1378, 1749], "border_n_redist": [1228, 1379, 1749], "border_redist_ord": [1228, 1380, 1749], "border_redist_pol": [1228, 1381, 1749], "border_rmin": [1228, 1382, 1749], "border_rmin_unit": [1228, 1383, 1749], "border_typ": [1228, 1384, 1749], "bot": 1822, "boysloc": 10, "bra": 1817, "branch": 1788, "brianqc": [1710, 1735], "brianqc_en": [1105, 1221, 1735], "broken": 1838, "brueckner_maxit": [1066, 1219], "brueckner_orbs_r_converg": [432, 1199, 1742], "bsvec": 5, "buffer": 1817, "bug": 1816, "build": [1, 1735, 1736, 1738, 1746, 1749, 1754, 1762, 1765, 1773, 1775, 1782, 1783, 1784, 1785, 1788, 1803, 1839], "built": [1730, 1735], "bump": 1786, "c": [1738, 1814, 1821, 1823, 1827], "cachelevel": [412, 433, 466, 507, 514, 537, 558, 728, 1198, 1199, 1200, 1201, 1202, 1203, 1204, 1208, 1225, 1242, 1742], "cachetyp": [434, 467, 1199, 1200, 1742], "calc_s_squar": [787, 1210], "calcul": [0, 1742, 1828, 1831, 1838, 1844], "call": [1810, 1817], "cannot": 1786, "canonicalize_active_favg": [1171, 1222], "canonicalize_inactive_favg": [1172, 1222], "capabl": [0, 1738, 1739, 1742, 1746, 1756, 1757, 1771, 1780, 1781, 1798, 1799], "cart_hess_read": [1226, 1300], "cartesian_sym_toler": [1226, 1301], "case": 2, "caviti": 1754, "cb": 284, "cc": [788, 1210, 1742, 1781, 1785], "cc3_follow_root": [468, 1200], "cc_a_ras3_max": [789, 1210], "cc_b_ras3_max": [790, 1210], "cc_diis_max_vec": [911, 1213], "cc_diis_min_vec": [912, 1213], "cc_ex_level": [791, 1210], "cc_fix_extern": [792, 1210], "cc_fix_external_min": [793, 1210], "cc_lambda": [913, 1213], "cc_macro": [794, 1210], "cc_maxit": [914, 1213, 1225, 1243], "cc_mix": [795, 1210], "cc_num_thread": [435, 469, 564, 1199, 1200, 1205, 1229, 1397], 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"cepa_sos_scal": [1225, 1246], "cepa_ss_scal": [1225, 1247], "cepa_typ": [1225, 1248], "cfour": [1206, 1670, 1711, 1743], "cfour_abcdtyp": [568, 1206], "cfour_active_orbi": [569, 1206], "cfour_anh_algorithm": [570, 1206], "cfour_anh_deriv": [571, 1206], "cfour_anh_steps": [572, 1206], "cfour_anh_symmetri": [573, 1206], "cfour_anharmon": [574, 1206], "cfour_ao_ladd": [575, 1206], "cfour_av_scf": [576, 1206], "cfour_basi": [577, 1206], "cfour_bruck_conv": [578, 1206], "cfour_brueckn": [579, 1206], "cfour_cache_rec": [580, 1206], "cfour_calc_level": [581, 1206], "cfour_cc_conv": [582, 1206], "cfour_cc_expord": [583, 1206], "cfour_cc_extrapol": [584, 1206], "cfour_cc_maxcyc": [585, 1206], "cfour_cc_program": [586, 1206], "cfour_charg": [587, 1206], "cfour_cis_conv": [588, 1206], "cfour_continuum": [589, 1206], "cfour_contract": [590, 1206], "cfour_converg": [591, 1206], "cfour_coordin": [592, 1206], "cfour_core_orbit": [593, 1206], "cfour_cphf_conv": [594, 1206], "cfour_cphf_maxcyc": [595, 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[627, 1206], "cfour_genbas_1": [628, 1206], "cfour_genbas_2": [629, 1206], "cfour_genbas_3": [630, 1206], "cfour_genbas_4": [631, 1206], "cfour_geo_conv": [632, 1206], "cfour_geo_maxcyc": [633, 1206], "cfour_geo_maxstep": [634, 1206], "cfour_geo_method": [635, 1206], "cfour_giao": [636, 1206], "cfour_grid": [637, 1206], "cfour_guess": [638, 1206], "cfour_hbar": [639, 1206], "cfour_hfstabl": [640, 1206], "cfour_incor": [641, 1206], "cfour_input_mrcc": [642, 1206], "cfour_integr": [643, 1206], "cfour_joda_print": [644, 1206], "cfour_lineq_conv": [645, 1206], "cfour_lineq_maxci": [646, 1206], "cfour_lineq_typ": [647, 1206], "cfour_lock_orbocc": [648, 1206], "cfour_maxstep": [649, 1206], "cfour_mem_unit": [650, 1206], "cfour_memory_s": [651, 1206], "cfour_method": [652, 1206], "cfour_mrcc": [653, 1206], "cfour_multipl": [654, 1206], "cfour_nacoupl": [655, 1206], "cfour_negev": [656, 1206], "cfour_newnorm": [657, 1206], "cfour_nonhf": [658, 1206], "cfour_ntop_tamp": [659, 1206], 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1231, 1574], "local_method": [444, 482, 521, 545, 1199, 1200, 1202, 1203], "local_pairdef": [445, 522, 546, 1199, 1202, 1203], "local_precondition": [483, 1200], "local_use_ghost": [1061, 1218], "local_weakp": [446, 484, 523, 547, 1199, 1200, 1202, 1203], "locat": 1786, "lock_singlet": [1229, 1415], "log": 1738, "logo": 1738, "long": [1701, 1758, 1788], "loop": 1832, "lorentzian": 325, "low": 1810, "ls_thc_basis_toler": [1131, 1221], "ls_thc_comput": 94, "ls_thc_df": [1132, 1221], "ls_thc_pruning_schem": [1133, 1221], "ls_thc_radial_point": [1134, 1221], "ls_thc_s_epsilon": [1135, 1221], "ls_thc_spherical_point": [1136, 1221], "ls_thc_weights_toler": [1137, 1221], "lse": [839, 1210], "lse_collaps": [840, 1210], "lse_toler": [841, 1210], "lto": 1746, "m": [1, 1749, 1754, 1762, 1784, 1792], "mac": 1738, "macport": 1738, "made": [1828, 1844], "madmp2_sleep": [906, 1212], "mai": 1738, "make_shar": 1821, "manag": [1736, 1786, 1787, 1809], "managedmethoderror": 268, "mani": 1771, "manipul": 1757, "manual": [1747, 1764, 1777], "map": 1764, "mark": 1821, "marqu": 1784, "mat2arr": 363, "mat_num_column_print": [1138, 1221], "math": 1764, "matric": 1210, "matrix": [100, 1746, 1781, 1797, 1810], "matrixfactori": 101, "max_attempt": [1231, 1575], "max_ccd_diisvec": [1230, 1456], "max_disp_g_converg": [1226, 1349], "max_energy_g_converg": [1226, 1350], "max_force_g_converg": [1226, 1351], "max_mem_buf": [1231, 1576], "max_mograd_converg": [930, 1213, 1225, 1266, 1798], "max_num_vec": [1, 404, 842, 1197, 1210], "max_radial_mo": [1139, 1221], "maxit": [1, 405, 447, 485, 524, 548, 741, 1062, 1080, 1185, 1197, 1199, 1200, 1202, 1203, 1208, 1218, 1219, 1222, 1228, 1229, 1230, 1231, 1391, 1416, 1457, 1577, 1742, 1749, 1771, 1837], "mbis_d_converg": [1140, 1221], "mbis_maxit": [1141, 1221], "mbis_pruning_schem": [1142, 1221], "mbis_radial_point": [1143, 1221], "mbis_spherical_point": [1144, 1221], "mcscf": [215, 1210, 1222, 1682, 1789], "mcscf_algorithm": [843, 1210, 1789], 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\ No newline at end of file
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[1487, null]], "COSX_DENSITY_TOLERANCE": [[1231, "cosx-density-tolerance"], [1488, null]], "COSX_INTS_TOLERANCE": [[1231, "cosx-ints-tolerance"], [1489, null]], "COSX_MAXITER_FINAL": [[1231, "cosx-maxiter-final"], [1490, null]], "COSX_OVERLAP_FITTING": [[1231, "cosx-overlap-fitting"], [1491, null]], "COSX_PRUNING_SCHEME": [[1231, "cosx-pruning-scheme"], [1492, null]], "COSX_RADIAL_POINTS_FINAL": [[1231, "cosx-radial-points-final"], [1493, null]], "COSX_RADIAL_POINTS_INITIAL": [[1231, "cosx-radial-points-initial"], [1494, null]], "COSX_SPHERICAL_POINTS_FINAL": [[1231, "cosx-spherical-points-final"], [1495, null]], "COSX_SPHERICAL_POINTS_INITIAL": [[1231, "cosx-spherical-points-initial"], [1496, null]], "COUPLED_INDUCTION": [[1230, "coupled-induction"], [1441, null], [1837, "coupled-induction"], [1837, "id13"]], "COUPLING": [[1229, "coupling"], [1403, null]], "COUPLING_TERMS": [[1229, "coupling-terms"], [1404, null]], "COVALENT_CONNECT": [[1226, "covalent-connect"], [1303, null]], "CPHF": [[1207, null]], "CPHF_MEM_SAFETY_FACTOR": [[714, null], [1207, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1029, null], [1218, "cphf-r-convergence"], [1230, "cphf-r-convergence"], [1442, null], [1837, "cphf-r-convergence"]], "CPHF_TASKS": [[715, null], [1207, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1108, null], [1221, "cubeprop-basis-functions"], [1750, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1109, null], [1221, "cubeprop-filepath"], [1750, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1110, null], [1221, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1111, null], [1221, "cubeprop-orbitals"], [1750, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1112, null], [1221, "cubeprop-tasks"], [1750, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1030, null], [1113, null], [1218, "cubic-basis-tolerance"], [1221, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": 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details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1739, "id18"]], "CdSalc": [[15, null]], "CdSalcList": [[16, null]], "Cfour for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users": [[1743, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1817, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1837, "charge-transfer-in-sapt"]], "Citing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1781, "citing-psifour"]], "Class Inheritance Diagram": [[1827, "class-inheritance-diagram"], [1827, "id3"], [1827, "id6"]], "Classes": [[1827, "classes"], [1827, "id2"], [1827, "id5"]], "Clone from GitHub Repository": [[1737, "clone-from-github-repository"]], "Code style conventions": [[1747, null]], "Collect documentation snapshot": [[1788, "collect-documentation-snapshot"]], "Collect new authors": [[1788, "collect-new-authors"]], "Command Line Options": [[1767, "command-line-options"]], "Comments": [[1804, "comments"]], "Community Code of Conduct": [[1811, null]], "Comparison Functions": [[2, "comparison-functions"]], "Compiling and Installing from Source": [[1738, null]], "Complete Basis Set": [[1740, null]], "Completely new methods": [[1823, "completely-new-methods"]], "CompositeJK": [[18, null]], "Computations with Mid-bonds": [[1837, "computations-with-mid-bonds"]], "Conda Binary Distribution": [[1748, null]], "Conda Binary Package": [[1737, "conda-binary-package"]], "Configuration Interaction (CI)": [[1781, "configuration-interaction-ci"]], "Configuring and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Binary": [[1736, "configuring-and-installing-psifour-via-binary"]], "Configuring, Building, and Installing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> via Source": [[1736, "configuring-building-and-installing-psifour-via-source"]], "Constrained Optimizations": [[1802, "constrained-optimizations"]], "Contents:": [[1777, null]], "Conventional (Non-OO) Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1798, "conventional-non-oo-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Convergence Control": [[1226, "convergence-control"]], "Convergence Control/Stabilization": [[1231, "convergence-control-stabilization"]], "Convergence Criteria": [[1802, "convergence-criteria"]], "Convergence Problems": [[1798, "convergence-problems"]], "Convergence Stabilization": [[1838, "convergence-stabilization"]], "Convergence and Algorithm Defaults": [[1838, "convergence-and-algorithm-defaults"]], "ConvergenceError": [[266, null]], "Coordinates": [[1833, "coordinates"]], "CorrelationFactor": [[19, null]], "CorrelationTable": [[20, null]], "Coupled Cluster (CC)": [[1781, "coupled-cluster-cc"]], "Coupled electron pair approximation": [[1771, "coupled-electron-pair-approximation"]], "Creating New Plugins": [[1808, null]], "Creating a Database": [[1835, null]], "Creating a New Plugin": [[1808, "creating-a-new-plugin"]], "Creating a New Plugin Using a Conda Pre-compiled Binary": [[1808, "creating-a-new-plugin-using-a-conda-pre-compiled-binary"]], "Cube File Visualization with PyMol": [[1770, "cube-file-visualization-with-pymol"]], "CubeProperties": [[21, null]], "Cubeprop Tasks": [[1750, "cubeprop-tasks"]], "Current coupled cluster capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1742, "id14"]], "Current one-electron property capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1799, "id2"]], "Customization: Adding Simple Extensions": [[1751, null]], "DAMPING_CONVERGENCE": [[1231, "damping-convergence"], [1498, null]], "DAMPING_FACTOR_INDUCED": [[1228, "damping-factor-induced"], [1387, null]], "DAMPING_FACTOR_MULTIPOLE": [[1228, "damping-factor-multipole"], [1388, null]], "DAMPING_PERCENTAGE": [[729, null], [1208, "damping-percentage"], [1229, "damping-percentage"], [1231, "damping-percentage"], [1405, null], [1499, null]], "DAMP_INDUCED": [[1228, "damp-induced"], [1385, null]], "DAMP_MULTIPOLE": [[1228, "damp-multipole"], [1386, null]], "DASUM": [[22, null]], "DAXPY": [[23, null]], "DCOPY": [[24, null]], "DCT": [[1208, null], [1671, null]], "DCT: Density Cumulant Theory": [[1753, null]], "DCT_FUNCTIONAL": [[730, null], [1208, "dct-functional"]], "DCT_GUESS": [[731, null], [1208, "dct-guess"]], "DCT_TYPE": [[732, null], [1208, "dct-type"]], "DDOT": [[25, null]], "DDX": [[1117, null], [1209, null], 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"DFOCC": [[1213, null], [1675, null]], "DFSCF Algorithm": [[1231, "dfscf-algorithm"]], "DFSOMCSCF": [[28, null]], "DFT": [[1231, "dft"]], "DFT Functionals": [[1758, null]], "DFT functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1695, null], [1758, "id1"]], "DFT-NL": [[1760, null]], "DFT: Density Functional Theory": [[1757, null]], "DFTD3": [[1715, null]], "DFTD4": [[1716, null]], "DFTGrid": [[29, null]], "DFT_ALPHA": [[1231, "dft-alpha"], [1512, null]], "DFT_ALPHA_C": [[1231, "dft-alpha-c"], [1513, null]], "DFT_BASIS_TOLERANCE": [[1231, "dft-basis-tolerance"], [1514, null]], "DFT_BLOCK_MAX_POINTS": [[1231, "dft-block-max-points"], [1515, null]], "DFT_BLOCK_MAX_RADIUS": [[1231, "dft-block-max-radius"], [1516, null]], "DFT_BLOCK_MIN_POINTS": [[1231, "dft-block-min-points"], [1517, null]], "DFT_BLOCK_SCHEME": [[1231, "dft-block-scheme"], [1518, null]], "DFT_BS_RADIUS_ALPHA": [[1231, 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"DFT_REMOVE_DISTANT_POINTS": [[1231, "dft-remove-distant-points"], [1535, null]], "DFT_SPHERICAL_POINTS": [[1231, "dft-spherical-points"], [1536, null]], "DFT_SPHERICAL_SCHEME": [[1231, "dft-spherical-scheme"], [1537, null]], "DFT_V2_RHO_CUTOFF": [[1231, "dft-v2-rho-cutoff"], [1538, null]], "DFT_VV10_B": [[1231, "dft-vv10-b"], [1539, null]], "DFT_VV10_C": [[1231, "dft-vv10-c"], [1540, null]], "DFT_VV10_POSTSCF": [[1231, "dft-vv10-postscf"], [1541, null]], "DFT_VV10_RADIAL_POINTS": [[1231, "dft-vv10-radial-points"], [1542, null]], "DFT_VV10_RHO_CUTOFF": [[1231, "dft-vv10-rho-cutoff"], [1543, null]], "DFT_VV10_SPHERICAL_POINTS": [[1231, "dft-vv10-spherical-points"], [1544, null]], "DFT_WEIGHTS_TOLERANCE": [[1231, "dft-weights-tolerance"], [1545, null]], "DFTensor": [[30, null]], "DF_BASIS_CC": [[1075, null], [1120, null], [1219, "df-basis-cc"], [1221, "df-basis-cc"], [1771, "df-basis-cc"]], "DF_BASIS_DCT": [[733, null], [1208, "df-basis-dct"]], "DF_BASIS_ELST": [[1230, "df-basis-elst"], 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when to not apply code styling to your contributions": [[1747, "how-and-when-to-not-apply-code-styling-to-your-contributions"]], "How do I retain specific Psi4 scratch files": [[1738, "how-do-i-retain-specific-psi4-scratch-files"]], "How to Ignore the Bots": [[1822, "how-to-ignore-the-bots"]], "How to build and install Psi4, the compact version": [[1738, "how-to-build-and-install-psi4-the-compact-version"]], "How to build, test, and install Psi4, in detail": [[1738, "how-to-build-test-and-install-psi4-in-detail"]], "How to bump a version": [[1786, "how-to-bump-a-version"]], "How to call BLAS & LAPACK in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1810, "how-to-call-blas-lapack-in-psifour"]], "How to choose the compilation directory, {objdir}": [[1738, "how-to-choose-the-compilation-directory-objdir"]], "How to compile for debugging": [[1738, "how-to-compile-for-debugging"]], "How to configure BLAS/LAPACK 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"how-to-configure-python-for-building-psi4"]], "How to configure a Psi4 build on Cray": [[1738, "how-to-configure-a-psi4-build-on-cray"]], "How to configure adcc for building Psi4": [[1, "how-to-configure-adcc-for-building-psi4"]], "How to configure code to use high angular momentum basis sets": [[1738, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to configure ddx for building Psi4": [[1754, "how-to-configure-ddx-for-building-psi4"]], "How to configure dkh for building Psi4": [[1762, "how-to-configure-dkh-for-building-psi4"]], "How to configure gau2gridfor building Psi4": [[1773, "how-to-configure-gau2gridfor-building-psi4"]], "How to configure gdma for building Psi4": [[1775, "how-to-configure-gdma-for-building-psi4"]], "How to configure libefp for building Psi4": [[1782, "how-to-configure-libefp-for-building-psi4"]], "How to configure paths for PsiAPI": [[1738, "how-to-configure-paths-for-psiapi"]], "How to configure simint for building Psi4": [[1839, "how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1786, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1786, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1786, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1738, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1786, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1786, "how-to-fix-cannot-import-name-core-from-top-level-psi4-dir"]], "How to fix \u201cplugin needed to handle lto object\u201d when building CheMPS2": [[1746, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1738, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1738, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1738, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1738, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1738, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1747, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1747, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1748, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1748, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1748, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1738, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1785, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1786, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1785, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1810, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1810, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1810, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1738, "how-to-obtain-c-and-c-compilers-for-mac-without-fink-macports-or-homebrew"]], "How to obtain Psi4: start with find-the-code quiz, end in {top-level-psi4-dir}": [[1737, "how-to-obtain-psi4-start-with-find-the-code-quiz-end-in-top-level-psi4-dir"]], "How to obtain a Fortran compiler for Mac without Fink, MacPorts, or Homebrew": [[1738, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1738, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1738, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1738, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1738, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1738, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1738, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1738, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1747, "how-to-run-code-style-tools-clang-format-and-yapf-manually"]], "How to satisfy the GCC >= 4.9 requirement on Linux without updating the OS": [[1738, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1738, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1738, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1738, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1738, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1738, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1738, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1738, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1748, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1738, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1738, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1738, "how-to-use-a-local-add-on-repository-in-the-psi4-build"]], "How to use an Add-On\u2019s name in directory structure, build, and distribution": [[1785, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1748, 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"autodir_options_c/cceom__e_convergence", "autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_algorithm", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__doi_basis_tolerance", "autodir_options_c/dlpno__doi_pruning_scheme", "autodir_options_c/dlpno__doi_radial_points", "autodir_options_c/dlpno__doi_spherical_points", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__ls_thc_basis_tolerance", "autodir_options_c/globals__ls_thc_df", "autodir_options_c/globals__ls_thc_pruning_scheme", "autodir_options_c/globals__ls_thc_radial_points", "autodir_options_c/globals__ls_thc_s_epsilon", "autodir_options_c/globals__ls_thc_spherical_points", "autodir_options_c/globals__ls_thc_weights_tolerance", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__custom_coords", "autodir_options_c/optking__dynamic_level", "autodir_options_c/optking__ensure_bt_convergence", "autodir_options_c/optking__ext_force_bend", "autodir_options_c/optking__ext_force_cartesian", "autodir_options_c/optking__ext_force_dihedral", "autodir_options_c/optking__ext_force_distance", "autodir_options_c/optking__ext_force_oofp", "autodir_options_c/optking__flexible_g_convergence", "autodir_options_c/optking__frag_mode", "autodir_options_c/optking__frag_ref_atoms", "autodir_options_c/optking__freeze_all_dihedrals", "autodir_options_c/optking__freeze_interfrag", "autodir_options_c/optking__freeze_intrafrag", "autodir_options_c/optking__frozen_bend", "autodir_options_c/optking__frozen_cartesian", "autodir_options_c/optking__frozen_dihedral", "autodir_options_c/optking__frozen_distance", "autodir_options_c/optking__frozen_oofp", "autodir_options_c/optking__full_hess_every", "autodir_options_c/optking__g_convergence", "autodir_options_c/optking__geom_maxiter", "autodir_options_c/optking__h_bond_connect", "autodir_options_c/optking__h_guess_every", "autodir_options_c/optking__h_update_den_tol", "autodir_options_c/optking__hess_update", "autodir_options_c/optking__hess_update_limit", "autodir_options_c/optking__hess_update_limit_max", "autodir_options_c/optking__hess_update_limit_scale", "autodir_options_c/optking__hess_update_use_last", "autodir_options_c/optking__intcos_generate_exit", "autodir_options_c/optking__interfrag_collinear_tol", "autodir_options_c/optking__interfrag_coords", "autodir_options_c/optking__interfrag_dist_inv", "autodir_options_c/optking__interfrag_hess", "autodir_options_c/optking__interfrag_mode", "autodir_options_c/optking__interfrag_step_limit", "autodir_options_c/optking__interfragment_connect", "autodir_options_c/optking__intrafrag_hess", "autodir_options_c/optking__intrafrag_step_limit", "autodir_options_c/optking__intrafrag_step_limit_max", "autodir_options_c/optking__intrafrag_step_limit_min", "autodir_options_c/optking__irc_direction", "autodir_options_c/optking__irc_points", "autodir_options_c/optking__irc_step_size", "autodir_options_c/optking__max_disp_g_convergence", "autodir_options_c/optking__max_energy_g_convergence", "autodir_options_c/optking__max_force_g_convergence", "autodir_options_c/optking__opt_coordinates", "autodir_options_c/optking__opt_restart", "autodir_options_c/optking__opt_type", "autodir_options_c/optking__print_opt_params", "autodir_options_c/optking__print_trajectory_xyz_file", "autodir_options_c/optking__ranged_bend", "autodir_options_c/optking__ranged_dihedral", "autodir_options_c/optking__ranged_distance", "autodir_options_c/optking__ranged_oofp", "autodir_options_c/optking__rfo_follow_root", "autodir_options_c/optking__rfo_normalization_max", "autodir_options_c/optking__rfo_root", "autodir_options_c/optking__rms_disp_g_convergence", "autodir_options_c/optking__rms_force_g_convergence", "autodir_options_c/optking__rsrfo_alpha_max", "autodir_options_c/optking__save_optimization", "autodir_options_c/optking__step_type", "autodir_options_c/optking__test_b", "autodir_options_c/optking__test_derivative_b", "autodir_options_c/optking__unfreeze_dihedrals", "autodir_options_c/optking__write_opt_history", "autodir_options_c/optking__write_opt_result", "autodir_options_c/optking__write_trajectory", "autodir_options_c/pcm__pcm_cc_type", "autodir_options_c/pcm__pcm_scf_type", "autodir_options_c/pcm__pcmsolver_parsed_fname", "autodir_options_c/pe__border", "autodir_options_c/pe__border_n_redist", "autodir_options_c/pe__border_redist_order", "autodir_options_c/pe__border_redist_pol", "autodir_options_c/pe__border_rmin", "autodir_options_c/pe__border_rmin_unit", "autodir_options_c/pe__border_type", "autodir_options_c/pe__damp_induced", "autodir_options_c/pe__damp_multipole", "autodir_options_c/pe__damping_factor_induced", "autodir_options_c/pe__damping_factor_multipole", "autodir_options_c/pe__induced_convergence", "autodir_options_c/pe__isotropic_pol", "autodir_options_c/pe__maxiter", "autodir_options_c/pe__pe_ecp", "autodir_options_c/pe__potfile", "autodir_options_c/pe__summation_fields", "autodir_options_c/pe__tree_expansion_order", "autodir_options_c/pe__tree_theta", "autodir_options_c/psimrcc__cc_num_threads", "autodir_options_c/psimrcc__corr_ansatz", "autodir_options_c/psimrcc__corr_ccsd_t", "autodir_options_c/psimrcc__corr_charge", "autodir_options_c/psimrcc__corr_multp", "autodir_options_c/psimrcc__corr_wfn", "autodir_options_c/psimrcc__coupling", "autodir_options_c/psimrcc__coupling_terms", "autodir_options_c/psimrcc__damping_percentage", "autodir_options_c/psimrcc__diagonal_ccsd_t", "autodir_options_c/psimrcc__diagonalize_heff", "autodir_options_c/psimrcc__diis_max_vecs", "autodir_options_c/psimrcc__diis_start", "autodir_options_c/psimrcc__e_convergence", "autodir_options_c/psimrcc__favg_ccsd_t", "autodir_options_c/psimrcc__follow_root", "autodir_options_c/psimrcc__heff4", "autodir_options_c/psimrcc__heff_print", "autodir_options_c/psimrcc__lock_singlet", "autodir_options_c/psimrcc__maxiter", "autodir_options_c/psimrcc__mp2_ccsd_method", "autodir_options_c/psimrcc__mp2_guess", "autodir_options_c/psimrcc__no_singles", "autodir_options_c/psimrcc__offdiagonal_ccsd_t", "autodir_options_c/psimrcc__perturb_cbs", "autodir_options_c/psimrcc__perturb_cbs_coupling", "autodir_options_c/psimrcc__pt_energy", "autodir_options_c/psimrcc__r_convergence", "autodir_options_c/psimrcc__small_cutoff", "autodir_options_c/psimrcc__tikhonow_max", "autodir_options_c/psimrcc__tikhonow_omega", "autodir_options_c/psimrcc__tikhonow_triples", "autodir_options_c/psimrcc__triples_algorithm", "autodir_options_c/psimrcc__triples_diis", "autodir_options_c/psimrcc__use_spin_sym", "autodir_options_c/psimrcc__use_spin_symmetry", "autodir_options_c/psimrcc__wfn_sym", "autodir_options_c/psimrcc__zero_internal_amps", "autodir_options_c/sapt__aio_cphf", "autodir_options_c/sapt__aio_df_ints", "autodir_options_c/sapt__basis", "autodir_options_c/sapt__ccd_e_convergence", "autodir_options_c/sapt__ccd_maxiter", "autodir_options_c/sapt__ccd_t_convergence", "autodir_options_c/sapt__coupled_induction", "autodir_options_c/sapt__cphf_r_convergence", "autodir_options_c/sapt__denominator_algorithm", "autodir_options_c/sapt__denominator_delta", "autodir_options_c/sapt__df_basis_elst", "autodir_options_c/sapt__df_basis_sapt", "autodir_options_c/sapt__do_ccd_disp", "autodir_options_c/sapt__do_disp_exch_sinf", "autodir_options_c/sapt__do_ind30_exch_sinf", "autodir_options_c/sapt__do_ind_exch_sinf", "autodir_options_c/sapt__do_mbpt_disp", "autodir_options_c/sapt__do_third_order", "autodir_options_c/sapt__exch_scale_alpha", "autodir_options_c/sapt__freeze_core", "autodir_options_c/sapt__ints_tolerance", "autodir_options_c/sapt__max_ccd_diisvecs", "autodir_options_c/sapt__maxiter", "autodir_options_c/sapt__min_ccd_diisvecs", "autodir_options_c/sapt__nat_orbs_t2", "autodir_options_c/sapt__nat_orbs_t3", "autodir_options_c/sapt__nat_orbs_v4", "autodir_options_c/sapt__occ_tolerance", "autodir_options_c/sapt__print", "autodir_options_c/sapt__sapt0_e10", "autodir_options_c/sapt__sapt0_e20disp", "autodir_options_c/sapt__sapt0_e20ind", "autodir_options_c/sapt__sapt_dft_do_dhf", "autodir_options_c/sapt__sapt_dft_do_hybrid", "autodir_options_c/sapt__sapt_dft_exch_disp_fixed_scale", "autodir_options_c/sapt__sapt_dft_exch_disp_scale_scheme", "autodir_options_c/sapt__sapt_dft_functional", "autodir_options_c/sapt__sapt_dft_grac_determination", "autodir_options_c/sapt__sapt_dft_grac_shift_a", "autodir_options_c/sapt__sapt_dft_grac_shift_b", "autodir_options_c/sapt__sapt_dft_mp2_disp_alg", "autodir_options_c/sapt__sapt_fdds_disp_leg_lambda", "autodir_options_c/sapt__sapt_fdds_disp_num_points", "autodir_options_c/sapt__sapt_fdds_v2_rho_cutoff", "autodir_options_c/sapt__sapt_level", "autodir_options_c/sapt__sapt_mem_check", "autodir_options_c/sapt__sapt_mem_factor", "autodir_options_c/sapt__sapt_mem_safety", "autodir_options_c/sapt__sapt_quiet", "autodir_options_c/scf__basis", "autodir_options_c/scf__basis_guess", "autodir_options_c/scf__cholesky_tolerance", "autodir_options_c/scf__cosx_basis_tolerance", "autodir_options_c/scf__cosx_density_tolerance", "autodir_options_c/scf__cosx_ints_tolerance", "autodir_options_c/scf__cosx_maxiter_final", "autodir_options_c/scf__cosx_overlap_fitting", "autodir_options_c/scf__cosx_pruning_scheme", "autodir_options_c/scf__cosx_radial_points_final", "autodir_options_c/scf__cosx_radial_points_initial", "autodir_options_c/scf__cosx_spherical_points_final", "autodir_options_c/scf__cosx_spherical_points_initial", "autodir_options_c/scf__d_convergence", "autodir_options_c/scf__damping_convergence", "autodir_options_c/scf__damping_percentage", "autodir_options_c/scf__df_basis_guess", "autodir_options_c/scf__df_basis_sad", "autodir_options_c/scf__df_basis_scf", "autodir_options_c/scf__df_bump_r0", "autodir_options_c/scf__df_bump_r1", "autodir_options_c/scf__df_domains", "autodir_options_c/scf__df_fitting_condition", "autodir_options_c/scf__df_ints_io", "autodir_options_c/scf__df_ints_num_threads", "autodir_options_c/scf__df_metric", "autodir_options_c/scf__df_scf_guess", "autodir_options_c/scf__df_theta", "autodir_options_c/scf__dft_alpha", "autodir_options_c/scf__dft_alpha_c", "autodir_options_c/scf__dft_basis_tolerance", "autodir_options_c/scf__dft_block_max_points", "autodir_options_c/scf__dft_block_max_radius", "autodir_options_c/scf__dft_block_min_points", "autodir_options_c/scf__dft_block_scheme", "autodir_options_c/scf__dft_bs_radius_alpha", "autodir_options_c/scf__dft_density_tolerance", "autodir_options_c/scf__dft_dispersion_parameters", "autodir_options_c/scf__dft_grac_alpha", "autodir_options_c/scf__dft_grac_beta", "autodir_options_c/scf__dft_grac_c_func", "autodir_options_c/scf__dft_grac_shift", "autodir_options_c/scf__dft_grac_x_func", "autodir_options_c/scf__dft_grid_name", "autodir_options_c/scf__dft_nuclear_scheme", "autodir_options_c/scf__dft_omega", "autodir_options_c/scf__dft_omega_c", "autodir_options_c/scf__dft_pruning_alpha", "autodir_options_c/scf__dft_pruning_scheme", "autodir_options_c/scf__dft_radial_points", "autodir_options_c/scf__dft_radial_scheme", "autodir_options_c/scf__dft_remove_distant_points", "autodir_options_c/scf__dft_spherical_points", "autodir_options_c/scf__dft_spherical_scheme", "autodir_options_c/scf__dft_v2_rho_cutoff", "autodir_options_c/scf__dft_vv10_b", "autodir_options_c/scf__dft_vv10_c", "autodir_options_c/scf__dft_vv10_postscf", "autodir_options_c/scf__dft_vv10_radial_points", "autodir_options_c/scf__dft_vv10_rho_cutoff", "autodir_options_c/scf__dft_vv10_spherical_points", "autodir_options_c/scf__dft_weights_tolerance", "autodir_options_c/scf__diis", "autodir_options_c/scf__diis_max_vecs", "autodir_options_c/scf__diis_min_vecs", "autodir_options_c/scf__diis_rms_error", "autodir_options_c/scf__diis_start", "autodir_options_c/scf__distributed_matrix", "autodir_options_c/scf__e_convergence", "autodir_options_c/scf__extern", "autodir_options_c/scf__fail_on_maxiter", "autodir_options_c/scf__follow_step_increment", "autodir_options_c/scf__follow_step_scale", "autodir_options_c/scf__frac_diis", "autodir_options_c/scf__frac_load", "autodir_options_c/scf__frac_occ", "autodir_options_c/scf__frac_renormalize", "autodir_options_c/scf__frac_start", "autodir_options_c/scf__frac_val", "autodir_options_c/scf__guess", "autodir_options_c/scf__guess_mix", "autodir_options_c/scf__guess_persist", "autodir_options_c/scf__incfock", "autodir_options_c/scf__incfock_convergence", "autodir_options_c/scf__incfock_full_fock_every", "autodir_options_c/scf__ints_tolerance", "autodir_options_c/scf__level_shift", "autodir_options_c/scf__level_shift_cutoff", "autodir_options_c/scf__link_ints_tolerance", "autodir_options_c/scf__local_convergence", "autodir_options_c/scf__local_maxiter", "autodir_options_c/scf__max_attempts", "autodir_options_c/scf__max_mem_buf", "autodir_options_c/scf__maxiter", "autodir_options_c/scf__molden_write", "autodir_options_c/scf__mom_occ", "autodir_options_c/scf__mom_start", "autodir_options_c/scf__mom_vir", "autodir_options_c/scf__nl_dispersion_parameters", "autodir_options_c/scf__onepot_grid_read", "autodir_options_c/scf__orbitals_write", "autodir_options_c/scf__parallel", "autodir_options_c/scf__perturb_dipole", "autodir_options_c/scf__perturb_h", "autodir_options_c/scf__perturb_magnitude", "autodir_options_c/scf__perturb_with", "autodir_options_c/scf__phi_points", "autodir_options_c/scf__pk_all_nonsym", "autodir_options_c/scf__pk_max_buckets", "autodir_options_c/scf__print_basis", "autodir_options_c/scf__print_mos", "autodir_options_c/scf__process_grid", "autodir_options_c/scf__qchf", "autodir_options_c/scf__r_points", "autodir_options_c/scf__radius", "autodir_options_c/scf__reference", "autodir_options_c/scf__s_cholesky_tolerance", "autodir_options_c/scf__s_orthogonalization", "autodir_options_c/scf__s_tolerance", "autodir_options_c/scf__sad_chol_tolerance", "autodir_options_c/scf__sad_d_convergence", "autodir_options_c/scf__sad_e_convergence", "autodir_options_c/scf__sad_frac_occ", "autodir_options_c/scf__sad_maxiter", "autodir_options_c/scf__sad_print", "autodir_options_c/scf__sad_scf_type", "autodir_options_c/scf__sad_spin_average", "autodir_options_c/scf__sapgau_basis", "autodir_options_c/scf__sapt", "autodir_options_c/scf__save_jk", "autodir_options_c/scf__save_uhf_nos", "autodir_options_c/scf__scf_initial_accelerator", "autodir_options_c/scf__scf_initial_finish_diis_transition", "autodir_options_c/scf__scf_initial_start_diis_transition", "autodir_options_c/scf__scf_mem_safety_factor", "autodir_options_c/scf__scf_properties", "autodir_options_c/scf__scf_subtype", "autodir_options_c/scf__snlink_basis_tolerance", "autodir_options_c/scf__snlink_density_tolerance", "autodir_options_c/scf__snlink_force_cartesian", "autodir_options_c/scf__snlink_gpu_mem", "autodir_options_c/scf__snlink_grid_batch_size", "autodir_options_c/scf__snlink_integrator_kernel", "autodir_options_c/scf__snlink_ints_tolerance", "autodir_options_c/scf__snlink_load_balancer_kernel", "autodir_options_c/scf__snlink_lwd_kernel", "autodir_options_c/scf__snlink_mol_weights_kernel", "autodir_options_c/scf__snlink_pruning_scheme", "autodir_options_c/scf__snlink_radial_points", "autodir_options_c/scf__snlink_radial_scheme", "autodir_options_c/scf__snlink_reduction_kernel", "autodir_options_c/scf__snlink_spherical_points", "autodir_options_c/scf__snlink_use_debug_grid", "autodir_options_c/scf__snlink_use_gpu", "autodir_options_c/scf__solver_convergence", "autodir_options_c/scf__solver_maxiter", "autodir_options_c/scf__solver_n_guess", "autodir_options_c/scf__solver_n_root", "autodir_options_c/scf__solver_roots_per_irrep", "autodir_options_c/scf__soscf", "autodir_options_c/scf__soscf_conv", "autodir_options_c/scf__soscf_max_iter", "autodir_options_c/scf__soscf_min_iter", "autodir_options_c/scf__soscf_print", "autodir_options_c/scf__soscf_start_convergence", "autodir_options_c/scf__stability_analysis", "autodir_options_c/scf__tdscf_coeff_cutoff", "autodir_options_c/scf__tdscf_guess", 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(psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1704, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[282, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1755, "index-2", false], [1771, "index-2", false]], "basis (dfmp2)": [[1704, "term-BASIS-DFMP2", true]], "basis (mints)": [[1704, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1704, "term-BASIS-SAPT", true]], "basis (scf)": [[1704, "term-BASIS-SCF", true]], "basis set": [[1730, "index-0", false], [1730, "index-1", false], [1730, "index-2", false], [1730, "index-3", false], [1731, "index-0", false], [1732, "index-0", false], [1733, "index-0", false], [1740, "index-0", false], [1740, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[147, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1704, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[283, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1704, "term-BASIS_RELATIVISTIC-GLOBALS", true]], "basis_values() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.basis_values", false]], "basisextents (class in psi4.core)": [[6, "psi4.core.BasisExtents", false]], "basisfunctions (class in psi4.core)": [[7, "psi4.core.BasisFunctions", false]], "basisset (class in psi4.core)": [[8, "psi4.core.BasisSet", false]], "basisset() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.basisset", false]], "basisset() (psi4.core.jk method)": [[92, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1776, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1704, "term-BCCD_MAXITER-CCENERGY", true]], "be_quiet() (in module psi4.core)": [[153, "psi4.core.be_quiet", false]], "begin() (psi4.core.slice method)": [[137, "psi4.core.Slice.begin", false]], "bench (globals)": [[1704, "term-BENCH-GLOBALS", true]], "benchmark_blas1() (in module psi4.core)": [[154, "psi4.core.benchmark_blas1", false]], "benchmark_blas2() (in module psi4.core)": [[155, "psi4.core.benchmark_blas2", false]], "benchmark_blas3() (in module psi4.core)": [[156, "psi4.core.benchmark_blas3", false]], "benchmark_disk() (in module psi4.core)": [[157, "psi4.core.benchmark_disk", false]], "benchmark_integrals() (in module psi4.core)": [[158, "psi4.core.benchmark_integrals", false]], "benchmark_math() (in module psi4.core)": [[159, "psi4.core.benchmark_math", false]], "bendazzoli (detci)": [[1704, "term-BENDAZZOLI-DETCI", true]], "beta_corr_to_pitzer() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.beta_corr_to_pitzer", false]], "beta_orbital_space() 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"bohr_per_ang (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bohr_per_ang", false]], "bond_width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bond_width", false]], "bonding_alpha (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonding_alpha", false]], "bonds (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.bonds", false]], "borbs() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.bOrbs", false]], "border (pe)": [[1704, "term-BORDER-PE", true]], "border_n_redist (pe)": [[1704, "term-BORDER_N_REDIST-PE", true]], "border_redist_order (pe)": [[1704, "term-BORDER_REDIST_ORDER-PE", true]], "border_redist_pol (pe)": [[1704, "term-BORDER_REDIST_POL-PE", true]], "border_rmin (pe)": [[1704, "term-BORDER_RMIN-PE", true]], "border_rmin_unit (pe)": [[1704, "term-BORDER_RMIN_UNIT-PE", true]], "border_type (pe)": [[1704, "term-BORDER_TYPE-PE", true]], "boyslocalizer (class 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false]], "bsvec (class in psi4.core)": [[5, "psi4.core.BSVec", false]], "bugs": [[1781, "index-3", false]], "build() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.build", false]], "build() (psi4.core.dftgrid static method)": [[29, "psi4.core.DFTGrid.build", false]], "build() (psi4.core.dispersion static method)": [[68, "psi4.core.Dispersion.build", false]], "build() (psi4.core.jk static method)": [[92, "psi4.core.JK.build", false]], "build() (psi4.core.localizer static method)": [[97, "psi4.core.Localizer.build", false]], "build() (psi4.core.vbase static method)": [[147, "psi4.core.VBase.build", false]], "build() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.build", false]], "build_base() (psi4.core.functional static method)": [[80, "psi4.core.Functional.build_base", false]], "build_cabs_space() (psi4.core.orbitalspace static method)": [[115, "psi4.core.OrbitalSpace.build_cabs_space", false]], "build_collocation_cache() (psi4.core.vbase method)": [[147, "psi4.core.VBase.build_collocation_cache", false]], "build_jk() (psi4.core.jk static method)": [[92, "psi4.core.JK.build_JK", false]], "build_ri_space() (psi4.core.orbitalspace static method)": [[115, "psi4.core.OrbitalSpace.build_ri_space", false]], "build_sad() (psi4.core.sadguess static method)": [[131, "psi4.core.SADGuess.build_SAD", false]], "build_tasks() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.build_tasks", false]], "c() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.C", false]], "c1_deep_copy() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.c1_deep_copy", false]], "c1_deep_copy() 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false]], "c_functionals() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_functionals", false]], "c_left_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_left_add", false]], "c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_omega", false]], "c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_os_alpha", false]], "c_right_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_right_add", false]], "c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_ss_alpha", false]], "ca() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Ca", false]], "ca() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Ca", false]], "ca_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Ca_subset", false]], "cachelevel (ccdensity)": [[1704, "term-CACHELEVEL-CCDENSITY", true]], "cachelevel (ccenergy)": [[1704, "term-CACHELEVEL-CCENERGY", true]], "cachelevel (cceom)": [[1704, "term-CACHELEVEL-CCEOM", true]], "cachelevel (cchbar)": [[1704, "term-CACHELEVEL-CCHBAR", true]], "cachelevel (cclambda)": [[1704, "term-CACHELEVEL-CCLAMBDA", true]], "cachelevel (ccresponse)": [[1704, "term-CACHELEVEL-CCRESPONSE", true]], "cachelevel (cctransort)": [[1704, "term-CACHELEVEL-CCTRANSORT", true]], "cachelevel (dct)": [[1704, "term-CACHELEVEL-DCT", true]], "cachelevel (occ)": [[1704, "term-CACHELEVEL-OCC", true]], "cachetype (ccenergy)": [[1704, "term-CACHETYPE-CCENERGY", true]], "cachetype (cceom)": [[1704, "term-CACHETYPE-CCEOM", true]], "calc_s_squared (detci)": [[1704, "term-CALC_S_SQUARED-DETCI", true]], "canonicalize_active_favg (mcscf)": [[1704, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF", true]], "canonicalize_inactive_favg (mcscf)": [[1704, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF", true]], "cart_hess_read (optking)": [[1704, "term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1704, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1776, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1776, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1776, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1776, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[284, "index-0", false], [1740, "index-0", false], [1740, "index-1", false], [1740, "index-2", false], [1740, "index-3", false], [1741, "index-0", false]], "cbs() (in module psi4.driver)": [[284, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1742, "index-0", false]], "cc (detci)": [[1704, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1776, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1776, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1776, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1776, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1776, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1776, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1776, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1776, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1776, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1776, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1776, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1776, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1776, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1776, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1776, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1776, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1776, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1776, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1776, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1742, "index-0", false]], "cc2 alpha-alpha pair energies": [[1776, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1776, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1776, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1776, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1776, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1776, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1776, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1776, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1776, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1776, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1776, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1776, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1776, "psivar-CC3-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc3 alpha-beta pair energies": [[1776, "psivar-CC3-ALPHA-BETA-PAIR-ENERGIES", false]], "cc3 correlation energy": [[1776, "psivar-CC3-CORRELATION-ENERGY", false]], "cc3 singlet pair energies": [[1776, "psivar-CC3-SINGLET-PAIR-ENERGIES", false]], "cc3 total energy": [[1776, "psivar-CC3-TOTAL-ENERGY", false]], "cc3 triplet pair energies": [[1776, "psivar-CC3-TRIPLET-PAIR-ENERGIES", false]], "cc3_follow_root (cceom)": [[1704, "term-CC3_FOLLOW_ROOT-CCEOM", true]], "cc4 correlation energy": [[1776, "psivar-CC4-CORRELATION-ENERGY", false]], "cc4 total energy": [[1776, "psivar-CC4-TOTAL-ENERGY", false]], "cc_a_ras3_max (detci)": [[1704, "term-CC_A_RAS3_MAX-DETCI", true]], "cc_b_ras3_max (detci)": [[1704, "term-CC_B_RAS3_MAX-DETCI", true]], "cc_diis_max_vecs (dfocc)": [[1704, "term-CC_DIIS_MAX_VECS-DFOCC", true]], "cc_diis_min_vecs (dfocc)": [[1704, "term-CC_DIIS_MIN_VECS-DFOCC", true]], "cc_ex_level (detci)": [[1704, "term-CC_EX_LEVEL-DETCI", true]], "cc_fix_external (detci)": [[1704, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1704, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1704, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1704, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1704, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1704, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1704, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1704, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1704, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1704, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1704, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1704, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1704, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1704, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1704, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1704, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1704, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1704, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1704, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1704, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1704, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1704, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1704, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1704, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1704, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1776, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1776, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1776, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1776, "psivar-CCD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccd singles energy": [[1776, "psivar-CCD-SINGLES-ENERGY", false]], "ccd total energy": [[1776, "psivar-CCD-TOTAL-ENERGY", false]], "ccd_e_convergence (sapt)": [[1704, "term-CCD_E_CONVERGENCE-SAPT", true]], "ccd_maxiter (sapt)": [[1704, "term-CCD_MAXITER-SAPT", true]], "ccd_t_convergence (sapt)": [[1704, "term-CCD_T_CONVERGENCE-SAPT", true]], "ccdensity() (in module psi4.core)": [[160, "psi4.core.ccdensity", false]], "ccenergy() (in module psi4.core)": [[161, "psi4.core.ccenergy", false]], "cceom() (in module psi4.core)": [[162, "psi4.core.cceom", false]], "cchbar() (in module psi4.core)": [[163, "psi4.core.cchbar", false]], "ccl_energy (occ)": [[1704, "term-CCL_ENERGY-OCC", true]], "cclambda() (in module psi4.core)": [[164, "psi4.core.cclambda", false]], "ccn correlation energy": [[1776, "psivar-CCn-CORRELATION-ENERGY", false]], "ccn total energy": [[1776, "psivar-CCn-TOTAL-ENERGY", false]], "ccn-1a correlation energy": [[1776, "psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1776, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1776, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1776, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1776, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1776, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m (in h) -> root n (in i) einstein a (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-A-LEN", false]], "ccname root m (in h) -> root n (in i) einstein b (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-EINSTEIN-B-LEN", false]], "ccname root m (in h) -> root n (in i) oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (in h) -> root n (in i) rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n einstein a (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN", false]], "ccname root m -> root n einstein a (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN-h-TRANSITION", false]], "ccname root m -> root n einstein b (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1776, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1776, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1776, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1776, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1776, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1776, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1776, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1776, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1776, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1776, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1776, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1776, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1776, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1776, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1776, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1776, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1776, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1776, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1776, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[165, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1776, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1776, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1776, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1776, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1776, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1776, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1776, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1776, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1776, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1776, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1776, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1776, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1776, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1776, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1776, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1776, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1776, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1776, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1776, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1771, "index-1", false]], "ccsd(t) correlation energy": [[1776, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1776, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1776, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1776, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1776, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1776, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1776, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1776, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1776, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1776, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1776, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1776, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1776, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1776, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1776, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1776, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1776, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1776, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1776, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1776, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1776, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1776, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1776, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1776, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1776, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1776, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1776, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1776, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[166, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[167, "psi4.core.cctriples", false]], "ccwavefunction (class in psi4.core)": [[11, "psi4.core.CCWavefunction", false]], "cdsalc (class in psi4.core)": [[15, "psi4.core.CdSalc", false]], "cdsalclist (class in psi4.core)": [[16, "psi4.core.CdSalcList", false]], "cdsalcs() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1771, "index-1", false]], "cepa(0) correlation energy": [[1776, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1776, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1776, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1776, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1776, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1776, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1776, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1776, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1776, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1776, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1776, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1776, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1776, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1776, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1776, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1776, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1776, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1776, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1776, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1776, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1776, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1776, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1776, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1776, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1776, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1776, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1704, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1704, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1704, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1704, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1704, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1704, "term-CEPA_TYPE-OCC", true]], "cfour": [[1743, "index-0", false]], "cfour error code": [[1776, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1704, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1704, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1704, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1704, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1704, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1704, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1704, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1704, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1704, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1704, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1704, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1704, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1704, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1704, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1704, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1704, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1704, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1704, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1704, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1704, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1704, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1704, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1704, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1704, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1704, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1704, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1704, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1704, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1704, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1704, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1704, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1704, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1704, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1704, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1704, "term-CFOUR_ECP-CFOUR", true]], "cfour_eigenvector (cfour)": [[1704, "term-CFOUR_EIGENVECTOR-CFOUR", true]], "cfour_el_anharm (cfour)": [[1704, "term-CFOUR_EL_ANHARM-CFOUR", true]], "cfour_eom_nonit (cfour)": [[1704, "term-CFOUR_EOM_NONIT-CFOUR", true]], "cfour_estate_conv (cfour)": [[1704, "term-CFOUR_ESTATE_CONV-CFOUR", true]], "cfour_estate_maxcyc (cfour)": [[1704, "term-CFOUR_ESTATE_MAXCYC-CFOUR", true]], "cfour_estate_prop (cfour)": [[1704, "term-CFOUR_ESTATE_PROP-CFOUR", true]], "cfour_estate_sym (cfour)": [[1704, "term-CFOUR_ESTATE_SYM-CFOUR", true]], "cfour_estate_trans (cfour)": [[1704, "term-CFOUR_ESTATE_TRANS-CFOUR", true]], "cfour_eval_hess (cfour)": [[1704, "term-CFOUR_EVAL_HESS-CFOUR", true]], "cfour_excitation (cfour)": [[1704, "term-CFOUR_EXCITATION-CFOUR", true]], "cfour_excite (cfour)": [[1704, "term-CFOUR_EXCITE-CFOUR", true]], "cfour_fc_field (cfour)": [[1704, "term-CFOUR_FC_FIELD-CFOUR", true]], "cfour_fd_calctype (cfour)": [[1704, "term-CFOUR_FD_CALCTYPE-CFOUR", true]], "cfour_fd_irreps (cfour)": [[1704, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1704, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1704, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1704, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1704, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1704, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1704, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1704, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1704, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1704, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1704, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1704, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1704, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1704, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1704, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1704, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1704, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1704, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1704, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1704, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1704, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1704, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1704, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1704, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1704, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1704, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1704, "term-CFOUR_INPUT_MRCC-CFOUR", true]], 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"term-CFOUR_NEGEVAL-CFOUR", true]], "cfour_newnorm (cfour)": [[1704, "term-CFOUR_NEWNORM-CFOUR", true]], "cfour_nonhf (cfour)": [[1704, "term-CFOUR_NONHF-CFOUR", true]], "cfour_ntop_tamp (cfour)": [[1704, "term-CFOUR_NTOP_TAMP-CFOUR", true]], "cfour_occupation (cfour)": [[1704, "term-CFOUR_OCCUPATION-CFOUR", true]], "cfour_omp_num_threads (cfour)": [[1704, "term-CFOUR_OMP_NUM_THREADS-CFOUR", true]], "cfour_open-shell (cfour)": [[1704, "term-CFOUR_OPEN-SHELL-CFOUR", true]], "cfour_opt_maxcyc (cfour)": [[1704, "term-CFOUR_OPT_MAXCYC-CFOUR", true]], "cfour_orbitals (cfour)": [[1704, "term-CFOUR_ORBITALS-CFOUR", true]], "cfour_pert_orb (cfour)": [[1704, "term-CFOUR_PERT_ORB-CFOUR", true]], "cfour_points (cfour)": [[1704, "term-CFOUR_POINTS-CFOUR", true]], "cfour_print (cfour)": [[1704, "term-CFOUR_PRINT-CFOUR", true]], "cfour_prop_integral (cfour)": [[1704, "term-CFOUR_PROP_INTEGRAL-CFOUR", true]], "cfour_props (cfour)": [[1704, "term-CFOUR_PROPS-CFOUR", true]], "cfour_qrhf_general (cfour)": [[1704, "term-CFOUR_QRHF_GENERAL-CFOUR", true]], "cfour_qrhf_orbital (cfour)": [[1704, "term-CFOUR_QRHF_ORBITAL-CFOUR", true]], "cfour_qrhfgues (cfour)": [[1704, "term-CFOUR_QRHFGUES-CFOUR", true]], "cfour_raman_int (cfour)": [[1704, "term-CFOUR_RAMAN_INT-CFOUR", true]], "cfour_raman_orb (cfour)": [[1704, "term-CFOUR_RAMAN_ORB-CFOUR", true]], "cfour_rdo (cfour)": [[1704, "term-CFOUR_RDO-CFOUR", true]], "cfour_reference (cfour)": [[1704, "term-CFOUR_REFERENCE-CFOUR", true]], "cfour_relativistic (cfour)": [[1704, "term-CFOUR_RELATIVISTIC-CFOUR", true]], "cfour_relax_dens (cfour)": [[1704, "term-CFOUR_RELAX_DENS-CFOUR", true]], "cfour_res_raman (cfour)": [[1704, "term-CFOUR_RES_RAMAN-CFOUR", true]], "cfour_restart_cc (cfour)": [[1704, "term-CFOUR_RESTART_CC-CFOUR", true]], "cfour_rot_evec (cfour)": [[1704, "term-CFOUR_ROT_EVEC-CFOUR", true]], "cfour_save_ints (cfour)": [[1704, "term-CFOUR_SAVE_INTS-CFOUR", true]], "cfour_scale_on (cfour)": [[1704, "term-CFOUR_SCALE_ON-CFOUR", 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"term-CFOUR_XFORM_TOL-CFOUR", true]], "cfour_yfield (cfour)": [[1704, "term-CFOUR_YFIELD-CFOUR", true]], "cfour_zfield (cfour)": [[1704, "term-CFOUR_ZFIELD-CFOUR", true]], "cg_solver() (in module psi4.driver.p4util)": [[335, "psi4.driver.p4util.cg_solver", false]], "chain_dot() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.chain_dot", false]], "change_file_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.change_file_namespace", false]], "char_table() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.char_table", false]], "character() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.character", false]], "charactertable (class in psi4.core)": [[17, "psi4.core.CharacterTable", false]], "charge": [[1833, "index-2", false]], "charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.charge", false]], "charge-transfer": [[1837, "index-4", false]], "check_phases() (psi4.core.hf method)": [[84, "psi4.core.HF.check_phases", false]], "chemps2": [[1746, "index-0", false]], "cholesky (dfocc)": [[1704, "term-CHOLESKY-DFOCC", true]], "cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.cholesky_factorize", false]], "cholesky_tolerance (dfocc)": [[1704, "term-CHOLESKY_TOLERANCE-DFOCC", true]], "cholesky_tolerance (fnocc)": [[1704, "term-CHOLESKY_TOLERANCE-FNOCC", true]], "cholesky_tolerance (scf)": [[1704, "term-CHOLESKY_TOLERANCE-SCF", true]], "ci": [[1755, "index-0", false], [1755, "index-1", false], [1755, "index-2", false], [1755, "index-3", false], [1755, "index-4", false], [1755, "index-5", false], [1789, "index-2", false]], "ci correlation energy": [[1776, "psivar-CI-CORRELATION-ENERGY", false]], "ci dipole": [[1776, "psivar-CI-DIPOLE", false]], "ci quadrupole": [[1776, "psivar-CI-QUADRUPOLE", false]], "ci root n -> root m dipole": [[1776, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", false]], "ci root n -> root m quadrupole": [[1776, 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"term-CI_TYPE-GLOBALS", true]], "ciblks_print (detci)": [[1704, "term-CIBLKS_PRINT-DETCI", true]], "cin correlation energy": [[1776, "psivar-CIn-CORRELATION-ENERGY", false]], "cin total energy": [[1776, "psivar-CIn-TOTAL-ENERGY", false]], "cisd correlation energy": [[1776, "psivar-CISD-CORRELATION-ENERGY", false]], "cisd dipole": [[1776, "psivar-CISD-DIPOLE", false]], "cisd doubles energy": [[1776, "psivar-CISD-DOUBLES-ENERGY", false]], "cisd opposite-spin correlation energy": [[1776, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cisd quadrupole": [[1776, "psivar-CISD-QUADRUPOLE", false]], "cisd same-spin correlation energy": [[1776, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", false]], "cisd singles energy": [[1776, "psivar-CISD-SINGLES-ENERGY", false]], "cisd total energy": [[1776, "psivar-CISD-TOTAL-ENERGY", false]], "cisdt correlation energy": [[1776, "psivar-CISDT-CORRELATION-ENERGY", false]], "cisdt total energy": [[1776, "psivar-CISDT-TOTAL-ENERGY", false]], "cisdtq correlation energy": [[1776, "psivar-CISDTQ-CORRELATION-ENERGY", false]], "cisdtq total energy": [[1776, "psivar-CISDTQ-TOTAL-ENERGY", false]], "citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.citation", false]], "citation() (psi4.core.functional method)": [[80, "psi4.core.Functional.citation", false]], "citation() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.citation", false]], "civector (class in psi4.core)": [[12, "psi4.core.CIVector", false]], "ciwavefunction (class in psi4.core)": [[13, "psi4.core.CIWavefunction", false]], "ck() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.Ck", false]], "clean() (in module psi4.core)": [[168, "psi4.core.clean", false]], "clean_options() (in module psi4.core)": [[169, "psi4.core.clean_options", false]], "clean_timers() (in module psi4.core)": [[170, "psi4.core.clean_timers", false]], "clean_variables() (in module psi4.core)": [[171, "psi4.core.clean_variables", false]], "cleanup_ci() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.cleanup_ci", false]], "cleanup_dpd() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.cleanup_dpd", false]], "clear() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.clear", false]], "clear() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.clear", false]], "clear() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.clear", false]], "clear_all() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.clear_all", false]], "clear_collocation_cache() (psi4.core.vbase method)": [[147, "psi4.core.VBase.clear_collocation_cache", false]], "clear_d_prev() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.clear_D_prev", false]], "clear_external_cpscf_perturbations() (psi4.core.hf method)": [[84, "psi4.core.HF.clear_external_cpscf_perturbations", false]], "clear_external_potentials() (psi4.core.hf method)": [[84, "psi4.core.HF.clear_external_potentials", false]], "clear_spaces() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.clear_spaces", false]], "clone() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.clone", false]], "clone() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.clone", false]], "clone() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.clone", false]], "clone() (psi4.core.vector method)": [[148, "psi4.core.Vector.clone", false]], "close() (psi4.core.io method)": [[86, "psi4.core.IO.close", false]], "close_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.close_io_files", false]], "close_outfile() (in module psi4.core)": [[172, "psi4.core.close_outfile", false]], "coef (psi4.core.salccomponent attribute)": [[134, "psi4.core.SalcComponent.coef", false]], "coef() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.coef", false]], "coldim() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.coldim", false]], "coldim() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.coldim", false]], "coldim() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.coldim", false]], "collapse_size (detci)": [[1704, "term-COLLAPSE_SIZE-DETCI", true]], "collapse_with_last (cceom)": [[1704, "term-COLLAPSE_WITH_LAST-CCEOM", true]], "collapse_with_last_cc3 (cceom)": [[1704, "term-COLLAPSE_WITH_LAST_CC3-CCEOM", true]], "collocation": [[1773, "index-0", false]], "collocation_size() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.collocation_size", false]], "colors (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.colors", false]], "cols() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.cols", false]], "com_fixed() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.com_fixed", false]], "comment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.comment", false]], "compare() (in module psi4)": [[2, "psi4.compare", false]], "compare_cubes() (in module psi4)": [[2, "psi4.compare_cubes", false]], "compare_fchkfiles() (in module psi4)": [[2, "psi4.compare_fchkfiles", false]], "compare_fchkfiles() (in module psi4.driver)": [[285, "psi4.driver.compare_fchkfiles", false]], "compare_fchkfiles() (in module psi4.driver.p4util)": [[336, "psi4.driver.p4util.compare_fchkfiles", false]], "compare_fcidumps() (in module psi4)": [[2, "psi4.compare_fcidumps", false]], "compare_fcidumps() (in module psi4.driver)": [[286, "psi4.driver.compare_fcidumps", false]], "compare_fcidumps() (in module psi4.driver.p4util)": [[337, "psi4.driver.p4util.compare_fcidumps", false]], "compare_integers() (in module psi4)": [[2, "psi4.compare_integers", false]], "compare_matrices() (in module psi4)": [[2, "psi4.compare_matrices", false]], "compare_moldenfiles() (in module psi4)": [[2, "psi4.compare_moldenfiles", false]], "compare_moldenfiles() (in module psi4.driver)": [[287, "psi4.driver.compare_moldenfiles", false]], "compare_moldenfiles() (in module psi4.driver.p4util)": [[338, "psi4.driver.p4util.compare_moldenfiles", false]], "compare_molrecs() (in module psi4)": [[2, "psi4.compare_molrecs", false]], "compare_recursive() (in module psi4)": [[2, "psi4.compare_recursive", false]], "compare_values() (in module psi4)": [[2, "psi4.compare_values", false]], "compare_vectors() (in module psi4)": [[2, "psi4.compare_vectors", false]], "compare_vibinfos() (in module psi4.driver.qcdb.vib)": [[383, "psi4.driver.qcdb.vib.compare_vibinfos", false]], "compare_vibinfos() (in module qcdb)": [[2, "qcdb.compare_vibinfos", false]], "compare_wavefunctions() (in module psi4)": [[2, "psi4.compare_wavefunctions", false]], "compilers": [[1781, "index-1", false]], "compiling": [[1738, "index-0", false]], "complete_basis_set()": [[1740, "index-0", false]], "complex_tolerance (cceom)": [[1704, "term-COMPLEX_TOLERANCE-CCEOM", true]], "compositejk (class in psi4.core)": [[18, "psi4.core.CompositeJK", false]], "comput_s2 (dfocc)": [[1704, "term-COMPUT_S2-DFOCC", true]], "compute() 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"psi4.core.ESPPropCalc.compute_esp_over_grid_in_memory", false]], "compute_field_over_grid_in_memory() (psi4.core.esppropcalc method)": [[70, "psi4.core.ESPPropCalc.compute_field_over_grid_in_memory", false]], "compute_fock_like_matrices() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.compute_fock_like_matrices", false]], "compute_functional() (psi4.core.functional method)": [[80, "psi4.core.Functional.compute_functional", false]], "compute_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.compute_functional", false]], "compute_functions() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.compute_functions", false]], "compute_fvpi() (psi4.core.hf method)": [[84, "psi4.core.HF.compute_fvpi", false]], "compute_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.compute_gradient", false]], "compute_gradient() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_gradient", false]], 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(psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.compute_list", false]], "compute_mp4_triples (fnocc)": [[1704, "term-COMPUTE_MP4_TRIPLES-FNOCC", true]], "compute_orbital_gradient() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.compute_orbital_gradient", false]], "compute_orbital_gradient() (psi4.core.hf method)": [[84, "psi4.core.HF.compute_orbital_gradient", false]], "compute_orbital_gradient() (psi4.core.rhf method)": [[128, "psi4.core.RHF.compute_orbital_gradient", false]], "compute_orbital_gradient() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.compute_orbital_gradient", false]], "compute_orbital_gradient() (psi4.core.uhf method)": [[145, "psi4.core.UHF.compute_orbital_gradient", false]], "compute_orbitals() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.compute_orbitals", false]], "compute_phi() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.compute_phi", false]], "compute_points() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.compute_points", false]], "compute_products() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.compute_products", false]], "compute_properties() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.compute_properties", false]], "compute_q() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.compute_Q", false]], "compute_qk() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.compute_Qk", false]], "compute_shell() (psi4.core.onebodyaoint method)": [[112, "psi4.core.OneBodyAOInt.compute_shell", false]], "compute_shell() (psi4.core.threecenteroverlapint method)": [[141, "psi4.core.ThreeCenterOverlapInt.compute_shell", false]], "compute_shell() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.compute_shell", false]], "compute_shell() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.compute_shell", false]], "compute_spin_contamination() (psi4.core.hf method)": [[84, "psi4.core.HF.compute_spin_contamination", false]], "compute_state_transfer() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.compute_state_transfer", false]], "compute_thc_factorization() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.compute_thc_factorization", false]], "compute_triples (fnocc)": [[1704, "term-COMPUTE_TRIPLES-FNOCC", true]], "compute_v() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_V", false]], "compute_vx() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_Vx", false]], "computed (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.computed", false]], "computed_shells_per_iter() (psi4.core.jk method)": [[92, "psi4.core.JK.computed_shells_per_iter", false]], "computeexternexterninteraction() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computeExternExternInteraction", false]], "computenuclearenergy() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computeNuclearEnergy", false]], "computepotentialmatrix() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computePotentialMatrix", false]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer", false]], "conda_prefix": [[1738, "index-20", false], [1738, "index-22", false], [1767, "envvar-CONDA_PREFIX", false]], "connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.connectivity", false]], "consecutive_backsteps (optking)": [[1704, "term-CONSECUTIVE_BACKSTEPS-OPTKING", true]], "constrained": [[1802, "index-2", false]], "construct_from_pydict() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.construct_from_pydict", false]], "contact": [[1781, "index-3", false]], "continuum solvation": [[1754, "index-0", false], [1803, "index-0", false]], "converged (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.converged", false]], "convergence criteria": [[1802, "index-3", false]], "convergenceerror": [[266, "psi4.driver.ConvergenceError", false]], "coord() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.coord", false]], "copy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.copy", false]], "copy() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.copy", false]], "copy() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy", false]], "copy() (psi4.core.vector method)": [[148, "psi4.core.Vector.copy", false]], "copy_file_from_scratch() (in module psi4.driver)": [[288, "psi4.driver.copy_file_from_scratch", false]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[339, "psi4.driver.p4util.copy_file_from_scratch", false]], "copy_file_to_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_to_scratch", false]], "copy_file_to_scratch() (in module 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"correlationfactor (class in psi4.core)": [[19, "psi4.core.CorrelationFactor", false]], "correlationtable (class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1754, "index-0", false]], "cosx_basis_tolerance (scf)": [[1704, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1704, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1704, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1704, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1704, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1704, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1704, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1704, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1704, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1704, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1833, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1794, "index-1", false]], "coupled_induction (sapt)": [[1704, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1704, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1704, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1704, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1794, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1794, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1776, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1704, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1704, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1704, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1704, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1749, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1738, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1738, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[108, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[101, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[290, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.Ct", false]], "cube": [[1750, "index-0", false]], "cubeprop": [[1750, "index-0", false]], "cubeprop() (in module psi4.driver)": [[291, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1704, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1704, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1704, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1704, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1704, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in psi4.core)": [[21, "psi4.core.CubeProperties", false]], "cubic_basis_tolerance (fisapt)": [[1704, "term-CUBIC_BASIS_TOLERANCE-FISAPT", true]], "cubic_basis_tolerance (globals)": [[1704, "term-CUBIC_BASIS_TOLERANCE-GLOBALS", true]], "cubic_block_max_points (fisapt)": [[1704, "term-CUBIC_BLOCK_MAX_POINTS-FISAPT", true]], "cubic_block_max_points (globals)": [[1704, "term-CUBIC_BLOCK_MAX_POINTS-GLOBALS", true]], "cubic_grid_overage (fisapt)": [[1704, "term-CUBIC_GRID_OVERAGE-FISAPT", true]], "cubic_grid_overage (globals)": [[1704, "term-CUBIC_GRID_OVERAGE-GLOBALS", true]], "cubic_grid_spacing (fisapt)": [[1704, "term-CUBIC_GRID_SPACING-FISAPT", true]], "cubic_grid_spacing (globals)": [[1704, "term-CUBIC_GRID_SPACING-GLOBALS", true]], "cuhf (class in psi4.core)": [[14, "psi4.core.CUHF", false]], "current correlation energy": [[1776, "psivar-CURRENT-CORRELATION-ENERGY", false]], "current 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"psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1776, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1776, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1776, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1776, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1776, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1776, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1776, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1776, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1776, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1776, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1776, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1776, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1776, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1776, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "custom_coords (optking)": [[1704, "term-CUSTOM_COORDS-OPTKING", true]], "cutoff (dfocc)": [[1704, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1704, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1704, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[92, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1704, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1704, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1704, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1704, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1838, "index-2", false]], "damping_convergence (scf)": [[1704, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1704, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1704, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1704, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1704, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1704, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[84, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[147, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1752, "index-0", false], [1752, "index-3", false], [1752, "index-4", false], [1835, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1752, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1752, "index-0", false]], "db() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1776, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1776, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1776, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db_subset", false]], "dcalc() (psi4.core.civector method)": [[12, "psi4.core.CIVector.dcalc", false]], "dcopy() (in module psi4.core)": [[24, "psi4.core.DCOPY", false]], "dct": [[1753, "index-0", false]], "dct lambda energy": [[1776, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1776, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1776, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1776, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[173, "psi4.core.dct", false]], "dct_functional (dct)": [[1704, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1704, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1704, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1776, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1754, "index-0", false]], "ddx (globals)": [[1704, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1704, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1704, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1704, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1704, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1704, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1704, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1704, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1704, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1704, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1704, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1704, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1704, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1704, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1704, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1704, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1704, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1704, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1704, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1704, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1704, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1704, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1704, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1704, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1704, "term-DEBUG-CPHF", true]], "debug (globals)": [[1704, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1732, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[174, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[175, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[176, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1704, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1740, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1704, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1704, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1756, "index-0", false], [1771, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.density_tolerance", false]], "deriv (class in psi4.core)": [[61, "psi4.core.Deriv", false]], "deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.deriv", false]], "deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1704, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1704, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[80, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1776, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[177, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1704, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1771, "index-1", false]], "df-mp2": [[1756, "index-0", false], [1756, "index-1", false]], "df_basis_cc (fnocc)": [[1704, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1704, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1704, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1704, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1704, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1704, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1704, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1704, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1704, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1704, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1704, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1704, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1704, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1704, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1704, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1704, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1704, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1704, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1704, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1704, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1704, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1704, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1704, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1704, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1704, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[102, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[178, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1704, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1704, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1704, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[179, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1757, "index-0", false], [1758, "index-0", false], [1784, "index-0", false]], "dft dipole gradient": [[1776, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1776, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1776, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1776, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1776, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1776, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1776, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1704, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1704, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1704, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1704, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1704, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1704, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1704, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1704, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1704, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1704, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1704, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1704, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1704, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1704, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1704, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1704, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1704, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1704, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1704, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1704, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1704, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1704, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1704, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1704, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1704, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1704, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1704, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1704, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1704, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1704, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1704, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1704, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1704, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1704, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1759, "index-0", false]], "dftd4": [[1759, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1760, "index-0", false]], "dgbmv() (in module psi4.core)": [[31, "psi4.core.DGBMV", false]], "dgeev() (in module psi4.core)": [[32, "psi4.core.DGEEV", false]], "dgemm() (in module psi4.core)": [[33, "psi4.core.DGEMM", false]], "dgemv() (in module psi4.core)": [[34, "psi4.core.DGEMV", false]], "dger() (in module psi4.core)": [[35, "psi4.core.DGER", false]], "dgetrf() (in module psi4.core)": [[36, "psi4.core.DGETRF", false]], "dgetri() (in module psi4.core)": [[37, "psi4.core.DGETRI", false]], "dgetrs() (in module psi4.core)": [[38, "psi4.core.DGETRS", false]], "dhf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1704, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1704, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1704, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1704, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1838, "index-2", false]], "diis (ccenergy)": [[1704, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1704, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1704, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[321, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1704, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1704, "term-DIIS-MCSCF", true]], "diis (scf)": [[1704, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[84, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[128, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1704, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1704, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1704, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1704, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1704, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1704, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1704, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1704, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1704, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1704, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1704, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1704, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1704, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1704, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1704, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1704, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1704, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[148, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[148, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1704, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1704, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.dipole_grad", false]], "dipoleint (class in psi4.core)": [[65, "psi4.core.DipoleInt", false]], "directjk (class in psi4.core)": [[66, "psi4.core.DirectJK", false]], "disksomcscf (class in psi4.core)": [[67, "psi4.core.DiskSOMCSCF", false]], "disp (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1759, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1704, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1776, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1775, "index-0", false]], "distributed_matrix (scf)": [[1704, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1762, "index-0", false]], "dkh_order (globals)": [[1704, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[180, "psi4.core.dlpno", false]], "dlpno-mp2": [[1763, "index-0", false], [1763, "index-1", false]], "dlpno_algorithm (dlpno)": [[1704, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1704, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1704, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1775, "index-0", false]], "dma distributed multipoles": [[1776, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1776, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[181, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1776, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1776, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1704, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1704, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1704, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1704, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1704, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1704, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1704, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1704, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1704, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1704, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1704, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1704, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1704, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1704, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1704, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1704, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1704, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1704, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1704, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1704, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1704, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1704, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1704, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1704, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1704, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], "do_ccd_disp (sapt)": [[1704, "term-DO_CCD_DISP-SAPT", true]], "do_cubes() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.do_cubes", false]], "do_diis (dfocc)": [[1704, "term-DO_DIIS-DFOCC", true]], "do_diis (occ)": [[1704, "term-DO_DIIS-OCC", true]], "do_disp_exch_sinf (sapt)": [[1704, "term-DO_DISP_EXCH_SINF-SAPT", true]], "do_incfock_iter() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.do_incfock_iter", false]], "do_incfock_iter() (psi4.core.directjk method)": [[66, "psi4.core.DirectJK.do_incfock_iter", false]], "do_ind30_exch_sinf (sapt)": [[1704, "term-DO_IND30_EXCH_SINF-SAPT", true]], "do_ind_exch_sinf (sapt)": [[1704, "term-DO_IND_EXCH_SINF-SAPT", true]], "do_level_shift (dfocc)": [[1704, "term-DO_LEVEL_SHIFT-DFOCC", true]], "do_level_shift (occ)": [[1704, "term-DO_LEVEL_SHIFT-OCC", true]], "do_mbpt_disp (sapt)": [[1704, "term-DO_MBPT_DISP-SAPT", true]], "do_scs (dfocc)": [[1704, "term-DO_SCS-DFOCC", true]], "do_scs (occ)": [[1704, "term-DO_SCS-OCC", true]], "do_sos (dfocc)": [[1704, "term-DO_SOS-DFOCC", true]], "do_sos (occ)": [[1704, "term-DO_SOS-OCC", true]], "do_third_order (sapt)": [[1704, "term-DO_THIRD_ORDER-SAPT", true]], "docc (globals)": [[1704, "term-DOCC-GLOBALS", true]], "docc (mcscf)": [[1704, "term-DOCC-MCSCF", true]], "doccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.doccpi", false]], "docs_table_link() (in module psi4.driver)": [[292, "psi4.driver.docs_table_link", false]], "docs_table_link() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.docs_table_link", false]], "doi_basis_tolerance (dlpno)": [[1704, "term-DOI_BASIS_TOLERANCE-DLPNO", true]], "doi_pruning_scheme (dlpno)": [[1704, "term-DOI_PRUNING_SCHEME-DLPNO", true]], "doi_radial_points (dlpno)": [[1704, "term-DOI_RADIAL_POINTS-DLPNO", true]], "doi_spherical_points (dlpno)": [[1704, "term-DOI_SPHERICAL_POINTS-DLPNO", true]], "domain (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.domain", false]], "dot() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.dot", false]], "double-hybrid correction energy": [[1776, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", false]], "doublet() (in module psi4.core)": [[182, "psi4.core.doublet", false]], "doublet() (psi4.core.matrix static method)": [[100, "psi4.core.Matrix.doublet", false]], "dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.DPD_ID", false]], "dpdbuf4 (class in psi4.core)": [[183, "psi4.core.dpdbuf4", false]], "dpdfile2 (class in psi4.core)": [[184, "psi4.core.dpdfile2", false]], "dpotrf() (in module psi4.core)": [[40, "psi4.core.DPOTRF", false]], "dpotri() (in module psi4.core)": [[41, "psi4.core.DPOTRI", false]], "dpotrs() (in module psi4.core)": [[42, "psi4.core.DPOTRS", false]], "driver (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.driver", false]], "driver (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.driver", false]], "driver (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.driver", false]], "driver (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.driver", false]], "drop_duplicates() (in module psi4.driver.p4util)": [[344, "psi4.driver.p4util.drop_duplicates", false]], "drot() (in module psi4.core)": [[43, "psi4.core.DROT", false]], "dsbmv() (in module psi4.core)": [[44, "psi4.core.DSBMV", false]], "dscal() (in module psi4.core)": [[45, "psi4.core.DSCAL", false]], "dswap() (in module psi4.core)": [[46, "psi4.core.DSWAP", false]], "dsyev() (in module psi4.core)": [[47, "psi4.core.DSYEV", false]], "dsymm() (in module psi4.core)": [[48, "psi4.core.DSYMM", false]], "dsymv() (in module psi4.core)": [[49, "psi4.core.DSYMV", false]], "dsyr() (in module psi4.core)": [[50, "psi4.core.DSYR", false]], "dsyr2() (in module psi4.core)": [[51, "psi4.core.DSYR2", false]], "dsyr2k() (in module psi4.core)": [[52, "psi4.core.DSYR2K", false]], "dsyrk() (in module psi4.core)": [[53, "psi4.core.DSYRK", false]], "dsysv() (in module psi4.core)": [[54, "psi4.core.DSYSV", false]], "dtbmv() (in module psi4.core)": [[55, "psi4.core.DTBMV", false]], "dtbsv() (in module psi4.core)": [[56, "psi4.core.DTBSV", false]], "dtrmm() (in module psi4.core)": [[57, "psi4.core.DTRMM", false]], "dtrmv() (in module psi4.core)": [[58, "psi4.core.DTRMV", false]], "dtrsm() (in module psi4.core)": [[59, "psi4.core.DTRSM", false]], "dtrsv() (in module psi4.core)": [[60, "psi4.core.DTRSV", false]], "dum() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.dum", false]], "dummy_einsums() (in module psi4.core)": [[185, "psi4.core.dummy_einsums", false]], "dummy_integratorxx() (in module psi4.core)": [[186, "psi4.core.dummy_integratorxx", false]], "dynamic_level (optking)": [[1704, "term-DYNAMIC_LEVEL-OPTKING", true]], "dynamic_variable_bind() (in module psi4.driver)": [[293, "psi4.driver.dynamic_variable_bind", false]], "e() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.E", false]], "e3_scale (dfocc)": [[1704, "term-E3_SCALE-DFOCC", true]], "e3_scale (occ)": [[1704, "term-E3_SCALE-OCC", true]], "e_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.e_conv", false]], "e_convergence (ccenergy)": [[1704, "term-E_CONVERGENCE-CCENERGY", true]], "e_convergence (cceom)": [[1704, "term-E_CONVERGENCE-CCEOM", true]], "e_convergence (dct)": [[1704, "term-E_CONVERGENCE-DCT", true]], "e_convergence (detci)": [[1704, "term-E_CONVERGENCE-DETCI", true]], "e_convergence (dfocc)": [[1704, "term-E_CONVERGENCE-DFOCC", true]], "e_convergence (dlpno)": [[1704, "term-E_CONVERGENCE-DLPNO", true]], "e_convergence (fnocc)": [[1704, "term-E_CONVERGENCE-FNOCC", true]], "e_convergence (mcscf)": [[1704, "term-E_CONVERGENCE-MCSCF", true]], "e_convergence (mrcc)": [[1704, "term-E_CONVERGENCE-MRCC", true]], "e_convergence (occ)": [[1704, "term-E_CONVERGENCE-OCC", true]], "e_convergence (psimrcc)": [[1704, "term-E_CONVERGENCE-PSIMRCC", true]], "e_convergence (scf)": [[1704, "term-E_CONVERGENCE-SCF", true]], "ea_poles (occ)": [[1704, "term-EA_POLES-OCC", true]], "ecp_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ecp_shell", false]], "ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ecp_shell_on_center", false]], "ecpint": [[1765, "index-0", false]], "efp": [[1782, "index-0", false], [1782, "index-1", false], [1782, "index-4", false], [1782, "index-5", false]], "efp disp energy": [[1776, "psivar-EFP-DISP-ENERGY", false]], "efp elst energy": [[1776, "psivar-EFP-ELST-ENERGY", false]], "efp exch energy": [[1776, "psivar-EFP-EXCH-ENERGY", false]], "efp ind energy": [[1776, "psivar-EFP-IND-ENERGY", false]], "efp torque": [[1776, "psivar-EFP-TORQUE", false]], "efp total energy": [[1776, "psivar-EFP-TOTAL-ENERGY", false]], "efp_disp (efp)": [[1704, "term-EFP_DISP-EFP", true]], "efp_disp_damping (efp)": [[1704, "term-EFP_DISP_DAMPING-EFP", true]], "efp_elst (efp)": [[1704, "term-EFP_ELST-EFP", true]], "efp_elst_damping (efp)": [[1704, "term-EFP_ELST_DAMPING-EFP", true]], "efp_exch (efp)": [[1704, "term-EFP_EXCH-EFP", true]], "efp_ind (efp)": [[1704, "term-EFP_IND-EFP", true]], "efp_ind_damping (efp)": [[1704, "term-EFP_IND_DAMPING-EFP", true]], "efp_qm_elst (efp)": [[1704, "term-EFP_QM_ELST-EFP", true]], "efp_qm_ind (efp)": [[1704, "term-EFP_QM_IND-EFP", true]], "efzc() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.efzc", false]], 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"term-F_CUT-DLPNO", true]], "fa() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fa", false]], "fa_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fa_subset", false]], "factory() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.factory", false]], "fail_on_maxiter (scf)": [[1704, "term-FAIL_ON_MAXITER-SCF", true]], "failure (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Failure", false]], "favg (mcscf)": [[1704, "term-FAVG-MCSCF", true]], "favg_ccsd_t (psimrcc)": [[1704, "term-FAVG_CCSD_T-PSIMRCC", true]], "favg_start (mcscf)": [[1704, "term-FAVG_START-MCSCF", true]], "fb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fb", false]], "fb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fb_subset", false]], "fcharge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fcharge", false]], "fchk": [[1769, "index-0", false]], "fchk() (in module psi4.driver)": 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"term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1704, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1704, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1704, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1704, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1704, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[77, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[78, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1704, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[189, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1771, "index-0", false]], "fno-ccsd(t)": [[1771, "index-1", false]], "fno-mp4": [[1771, "index-1", false]], "fno-qcisd(t)": [[1771, "index-1", false]], "fnocc": [[1771, "index-2", false], [1771, "index-3", false]], "fnocc() (in module psi4.core)": [[190, "psi4.core.fnocc", false]], "follow_root (detci)": [[1704, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1704, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1704, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1704, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1704, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1704, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1704, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1704, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[84, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[84, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[84, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_F", false]], "form_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_opdm", false]], "form_qr_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.form_symmetry_information", false]], "form_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_tpdm", false]], "form_unc_amplitude() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[84, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1704, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1704, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1704, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1704, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[84, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1704, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1704, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1704, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1704, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[79, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_all_dihedrals (optking)": [[1704, "term-FREEZE_ALL_DIHEDRALS-OPTKING", true]], "freeze_core (globals)": [[1704, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1704, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1704, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1704, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1704, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1772, "index-0", false]], "freq() (in module psi4.driver)": [[300, "psi4.driver.freq", false]], "frequencies()": [[1772, "index-0", false]], "frequencies() (in module psi4.driver)": [[301, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1772, "index-0", false]], "frequency() (in module psi4.driver)": [[302, "psi4.driver.frequency", false]], "frequency();": [[1772, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[106, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.from_file", false]], "from_list() (psi4.core.dimension class method)": [[64, "psi4.core.Dimension.from_list", false]], "from_list() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1771, "index-0", false]], "frozen natural orbitals": [[1771, "index-1", false]], "frozen_bend (optking)": [[1704, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1704, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1704, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1704, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1704, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1704, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1704, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1704, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1704, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1772, "index-0", false], [1800, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.function_index", false]], "function_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_center", false]], "function_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_shell", false]], "functional (class in psi4.core)": [[80, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[84, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[147, "psi4.core.VBase.functional", false]], "functionals": [[1784, "index-0", false]], "functions_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.functions_local_to_global", false]], "fx() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fZ", false], [106, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1704, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1773, "index-0", false]], "gauge (adc)": [[1704, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1704, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1704, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1769, "index-0", false]], "gaussianshell (class in psi4.core)": [[81, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[82, "psi4.core.GaussianType", false]], "gcp": [[1774, "index-0", false]], "gdma": [[1775, "index-0", false]], "gdma() (in module psi4.driver)": [[303, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1704, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1704, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1704, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1704, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1704, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1832, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1704, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1800, "index-0", false], [1802, "index-1", false], [1802, "index-2", false], [1802, "index-3", false], [1802, "index-4", false]], "geometry optimization, optimization": [[1802, "index-0", false]], "geometry() (in module psi4.driver)": [[304, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[83, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[148, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[191, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_algorithm", false]], "get_amplitudes() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.get_amplitudes", false]], "get_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_core", false]], "get_ao_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_size", false]], "get_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[192, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[193, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[114, "psi4.core.Options.get_bool", false]], "get_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_COSX_grid", false]], "get_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[194, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_density", false]], "get_dimension() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_dimension", false]], "get_dipole_field_strength() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[114, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[195, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[196, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[114, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[114, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[197, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[198, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[305, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.get_memory", false]], "get_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_memory", false]], "get_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_memory", false]], "get_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_method", false]], "get_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.get_mix_data", false]], "get_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_MO_core", false]], "get_np_xyzw() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[199, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_beta", false]], "get_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_opdm", false]], "get_option() (in module psi4.core)": [[200, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[201, "psi4.core.get_options", false]], "get_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_orbitals", false]], "get_output_file() (in module psi4.core)": [[202, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_reverse_pivots", false]], "get_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_schwarz_cutoff", false]], "get_scratch_filename() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_snlink_max_am() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_snLinK_max_am", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[114, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_tei_already_presorted", false]], "get_tensor() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor", false]], "get_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.get_tensor_pqQ", false]], "get_tensor_shape() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_shape", false]], "get_tensor_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_size", false]], "get_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_tpdm", false]], "get_variable() (in module psi4.core)": [[203, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[204, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[205, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[86, "psi4.core.IO.getpid", false]], "ghost": [[1833, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1833, "index-3", false]], "gibbs free energy": [[1776, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1776, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[206, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1800, "index-0", false]], "gradient() (in module psi4.driver)": [[306, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1704, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1776, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1776, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1776, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[147, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1704, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[84, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1704, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1704, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1704, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1704, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1704, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1704, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1704, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1704, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1704, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1704, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1704, "term-H_UPDATE_DEN_TOL-OPTKING", true]], "hamiltonian() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.hamiltonian", false]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1843, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1838, "index-0", false]], "has_array_variable() (in module psi4.core)": [[207, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_array_variable", false]], "has_ecp() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_ECP", false]], "has_global_option_changed() (in module psi4.core)": [[208, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[209, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[210, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_potential_variable", false]], "has_puream() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_puream", false]], "has_scalar_variable() (in module psi4.core)": [[211, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[212, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1704, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1704, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1704, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1704, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1704, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1704, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1704, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1704, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1704, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1704, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1772, "index-0", false]], "hessian() (in module psi4.driver)": [[307, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1704, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1838, "index-0", false]], "hf (class in psi4.core)": [[84, "psi4.core.HF", false]], "hf dipole gradient": [[1776, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1776, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1776, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1776, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1776, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1776, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1776, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1837, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hold_options_state", false]], "host": [[1738, "index-21", false], [1738, "index-23", false], [1767, "envvar-HOST", false]], "i() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.i", false]], "icore (detci)": [[1704, "term-ICORE-DETCI", true]], "id() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.id", false]], "idamax() (in module psi4.core)": [[85, "psi4.core.IDAMAX", false]], "identity() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.identity", false]], "idfmo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Idfmo", false]], "imo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Imo", false]], "import_ignorecase() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.import_ignorecase", false]], "incfock (scf)": [[1704, "term-INCFOCK-SCF", true]], "incfock_convergence (scf)": [[1704, "term-INCFOCK_CONVERGENCE-SCF", true]], "incfock_full_fock_every (scf)": [[1704, "term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1704, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[148, "psi4.core.Vector.init", false]], "init_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.init_io_files", false]], "initialize() (in module psi4.core)": [[213, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[92, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1738, "index-0", false]], "intcos_generate_exit (optking)": [[1704, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integral", false]], "integral() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.integral", false]], "integral_cutoff (dfocc)": [[1704, "term-INTEGRAL_CUTOFF-DFOCC", true]], "integral_package (globals)": [[1704, "term-INTEGRAL_PACKAGE-GLOBALS", true]], "integralfactory (class in psi4.core)": [[89, "psi4.core.IntegralFactory", false]], "integrals": [[1783, "index-0", false], [1839, "index-0", false]], "integrals() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integrals", false]], "integrals_erf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integrals_erf", false]], "integrals_erfc() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.integrals_erfc", false]], "integraltransform (class in psi4.core)": [[90, "psi4.core.IntegralTransform", false]], "interfrag_collinear_tol (optking)": [[1704, "term-INTERFRAG_COLLINEAR_TOL-OPTKING", true]], "interfrag_coords (optking)": [[1704, "term-INTERFRAG_COORDS-OPTKING", true]], "interfrag_dist_inv (optking)": [[1704, "term-INTERFRAG_DIST_INV-OPTKING", true]], "interfrag_hess (optking)": [[1704, "term-INTERFRAG_HESS-OPTKING", true]], "interfrag_mode (optking)": [[1704, "term-INTERFRAG_MODE-OPTKING", true]], "interfrag_step_limit (optking)": [[1704, "term-INTERFRAG_STEP_LIMIT-OPTKING", true]], "interfragment_connect (optking)": [[1704, "term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1704, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1704, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1704, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1704, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1704, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1704, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1704, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1704, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1704, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1704, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[88, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[86, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[87, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[88, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1768, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1704, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[308, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1768, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1802, "index-2", false]], "irc_direction (optking)": [[1704, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1704, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1704, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[91, "psi4.core.IrreducibleRepresentation", false]], "irrep() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep", false]], "irrep_index() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep_index", false]], "irrep_labels() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_cartesian", false]], "is_done() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.is_done", false]], "is_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_poisson", false]], "is_pure() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_pure", false]], "is_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.is_variable", false]], "is_x_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_x_hybrid", false]], "is_x_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_x_lrc", false]], "isa": [[1799, "index-1", false]], "isotope": [[1833, "index-4", false]], "isotopes": [[1833, "index-4", false]], "isotropic_pol (pe)": [[1704, "term-ISOTROPIC_POL-PE", true]], "istop (detci)": [[1704, "term-ISTOP-DETCI", true]], "iteration (psi4.driver.convergenceerror attribute)": [[266, "psi4.driver.ConvergenceError.iteration", false]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.iteration", false]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.iteration", false]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.iteration", false]], "iteration_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.iteration_", false]], "iteration_energies (psi4.core.hf attribute)": [[84, "psi4.core.HF.iteration_energies", false]], "iterations() (psi4.core.hf method)": [[84, "psi4.core.HF.iterations", false]], "j() (psi4.core.jk method)": [[92, "psi4.core.JK.J", false]], "jk (class in psi4.core)": [[92, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[84, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1704, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[92, "psi4.core.JK.K", false]], "keywords": [[1740, "index-0", false], [1752, "index-0", false], [1761, "index-0", false], [1766, "index-0", false], [1772, "index-0", false], [1794, "index-1", false], [1800, "index-0", false], [1826, "index-0", false], [1832, "index-2", false], [1833, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1704, "term-KIND-ADC", true]], "kinetic() 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false]], "lccd opposite-spin correlation energy": [[1776, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1776, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1776, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1776, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1771, "index-1", false]], "lccsd (+lmp2) total energy": [[1776, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd correlation energy": [[1776, "psivar-LCCSD-CORRELATION-ENERGY", false]], "lccsd doubles energy": [[1776, "psivar-LCCSD-DOUBLES-ENERGY", false]], "lccsd opposite-spin correlation energy": [[1776, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccsd same-spin correlation energy": [[1776, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccsd singles energy": [[1776, "psivar-LCCSD-SINGLES-ENERGY", false]], "lccsd total energy": [[1776, "psivar-LCCSD-TOTAL-ENERGY", false]], "left-right cc2 eigenvector 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"term-LOCAL-CCENERGY", true]], "local (cceom)": [[1704, "term-LOCAL-CCEOM", true]], "local (cclambda)": [[1704, "term-LOCAL-CCLAMBDA", true]], "local (ccresponse)": [[1704, "term-LOCAL-CCRESPONSE", true]], "local_convergence (dlpno)": [[1704, "term-LOCAL_CONVERGENCE-DLPNO", true]], "local_convergence (fisapt)": [[1704, "term-LOCAL_CONVERGENCE-FISAPT", true]], "local_convergence (scf)": [[1704, "term-LOCAL_CONVERGENCE-SCF", true]], "local_cphf_cutoff (ccenergy)": [[1704, "term-LOCAL_CPHF_CUTOFF-CCENERGY", true]], "local_cphf_cutoff (cclambda)": [[1704, "term-LOCAL_CPHF_CUTOFF-CCLAMBDA", true]], "local_cphf_cutoff (ccresponse)": [[1704, "term-LOCAL_CPHF_CUTOFF-CCRESPONSE", true]], "local_cutoff (ccenergy)": [[1704, "term-LOCAL_CUTOFF-CCENERGY", true]], "local_cutoff (cceom)": [[1704, "term-LOCAL_CUTOFF-CCEOM", true]], "local_cutoff (cclambda)": [[1704, "term-LOCAL_CUTOFF-CCLAMBDA", true]], "local_cutoff (ccresponse)": [[1704, "term-LOCAL_CUTOFF-CCRESPONSE", true]], "local_do_singles 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false]], "maximum() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.maximum", false]], "maximum() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.maximum", false]], "maxiter (adc)": [[1704, "term-MAXITER-ADC", true]], "maxiter (ccenergy)": [[1704, "term-MAXITER-CCENERGY", true]], "maxiter (cceom)": [[1704, "term-MAXITER-CCEOM", true]], "maxiter (cclambda)": [[1704, "term-MAXITER-CCLAMBDA", true]], "maxiter (ccresponse)": [[1704, "term-MAXITER-CCRESPONSE", true]], "maxiter (dct)": [[1704, "term-MAXITER-DCT", true]], "maxiter (fisapt)": [[1704, "term-MAXITER-FISAPT", true]], "maxiter (fnocc)": [[1704, "term-MAXITER-FNOCC", true]], "maxiter (mcscf)": [[1704, "term-MAXITER-MCSCF", true]], "maxiter (pe)": [[1704, "term-MAXITER-PE", true]], "maxiter (psimrcc)": [[1704, "term-MAXITER-PSIMRCC", true]], "maxiter (sapt)": [[1704, "term-MAXITER-SAPT", true]], "maxiter (scf)": [[1704, "term-MAXITER-SCF", true]], "maxr() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.maxR", false]], "mayer indices": [[1776, "psivar-MAYER-INDICES", false]], "mbis": [[1799, "index-1", false]], "mbis charges": [[1776, "psivar-MBIS-CHARGES", false]], "mbis dipoles": [[1776, "psivar-MBIS-DIPOLES", false]], "mbis free atom n volume": [[1776, "psivar-MBIS-FREE-ATOM-n-VOLUME", false]], "mbis octupoles": [[1776, "psivar-MBIS-OCTUPOLES", false]], "mbis quadrupoles": [[1776, "psivar-MBIS-QUADRUPOLES", false]], "mbis radial moments <r^3>": [[1776, "psivar-MBIS-RADIAL-MOMENTS-R-3", false]], "mbis valence charges": [[1776, "psivar-MBIS-VALENCE-CHARGES", false]], "mbis valence widths": [[1776, "psivar-MBIS-VALENCE-WIDTHS", false]], "mbis volume ratios": [[1776, "psivar-MBIS-VOLUME-RATIOS", false]], "mbis_d_convergence (globals)": [[1704, "term-MBIS_D_CONVERGENCE-GLOBALS", true]], "mbis_maxiter (globals)": [[1704, "term-MBIS_MAXITER-GLOBALS", true]], "mbis_pruning_scheme (globals)": [[1704, "term-MBIS_PRUNING_SCHEME-GLOBALS", true]], "mbis_radial_points (globals)": [[1704, "term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1704, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1789, "index-0", false], [1789, "index-1", false]], "mcscf total energy": [[1776, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[215, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1704, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1704, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type (detci)": [[1704, "term-MCSCF_DIIS_ERROR_TYPE-DETCI", true]], "mcscf_diis_freq (detci)": [[1704, "term-MCSCF_DIIS_FREQ-DETCI", true]], "mcscf_diis_max_vecs (detci)": [[1704, "term-MCSCF_DIIS_MAX_VECS-DETCI", true]], "mcscf_diis_start (detci)": [[1704, "term-MCSCF_DIIS_START-DETCI", true]], "mcscf_dpd_cleanup (detci)": [[1704, "term-MCSCF_DPD_CLEANUP-DETCI", true]], "mcscf_e_convergence (detci)": [[1704, "term-MCSCF_E_CONVERGENCE-DETCI", true]], "mcscf_guess (detci)": [[1704, "term-MCSCF_GUESS-DETCI", true]], "mcscf_max_rot (detci)": [[1704, "term-MCSCF_MAX_ROT-DETCI", true]], "mcscf_maxiter (detci)": [[1704, "term-MCSCF_MAXITER-DETCI", true]], "mcscf_object() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.mcscf_object", false]], "mcscf_r_convergence (detci)": [[1704, "term-MCSCF_R_CONVERGENCE-DETCI", true]], "mcscf_rotate (detci)": [[1704, "term-MCSCF_ROTATE-DETCI", true]], "mcscf_so_start_e (detci)": [[1704, "term-MCSCF_SO_START_E-DETCI", true]], "mcscf_so_start_grad (detci)": [[1704, "term-MCSCF_SO_START_GRAD-DETCI", true]], "mcscf_type (detci)": [[1704, "term-MCSCF_TYPE-DETCI", true]], "mdi_run() (in module psi4.driver)": [[312, "psi4.driver.mdi_run", false]], "memdfjk (class in psi4.core)": [[102, "psi4.core.MemDFJK", false]], "memory": [[1832, "index-1", false]], "memory_estimate() (psi4.core.jk method)": [[92, "psi4.core.JK.memory_estimate", false]], "message (psi4.driver.convergenceerror attribute)": [[266, "psi4.driver.ConvergenceError.message", false]], "message (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.message", false]], "message (psi4.driver.missingmethoderror attribute)": [[269, "psi4.driver.MissingMethodError.message", false]], "message (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.message", false]], "message (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.message", false]], "message (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.message", false]], "message (psi4.driver.testcomparisonerror attribute)": [[278, "psi4.driver.TestComparisonError.message", false]], "message (psi4.driver.validationerror attribute)": [[280, "psi4.driver.ValidationError.message", false]], "message_box() (in module psi4.driver)": [[313, "psi4.driver.message_box", false]], "message_box() (in module psi4.driver.p4util)": [[364, "psi4.driver.p4util.message_box", false]], "meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.meta_cutoff", false]], "metadata (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.metadata", false]], "metameta (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.metameta", false]], "metameta (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.metameta", false]], "method (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.method", false]], "method (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.method", false]], "method (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.method", false]], "method (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.method", false]], "method alias": [[1834, "index-0", false]], "metric() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.metric", false]], "metric_inv() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.metric_inv", false]], "min_ccd_diisvecs (sapt)": [[1704, "term-MIN_CCD_DIISVECS-SAPT", true]], "minao_basis (fisapt)": [[1704, "term-MINAO_BASIS-FISAPT", true]], "minima": [[1802, "index-1", false]], "mintshelper (class in psi4.core)": [[103, "psi4.core.MintsHelper", false]], "mintshelper() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.mintshelper", false]], "mintshelper() (psi4.core.rhf method)": [[128, "psi4.core.RHF.mintshelper", false]], "mintshelper() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.mintshelper", false]], "mintshelper() (psi4.core.uhf method)": [[145, "psi4.core.UHF.mintshelper", false]], "mintshelper() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.mintshelper", false]], "missingmethoderror": [[269, "psi4.driver.MissingMethodError", false]], "mixed (detci)": [[1704, "term-MIXED-DETCI", true]], "mixed4 (detci)": [[1704, "term-MIXED4-DETCI", true]], "mk-mrcc": [[1829, "index-0", false]], "mkl_num_threads": [[1767, "envvar-MKL_NUM_THREADS", false], [1767, "index-8", false]], "mkl_root": [[1738, "envvar-MKL_ROOT", false]], "mo_diis_num_vecs (dfocc)": [[1704, "term-MO_DIIS_NUM_VECS-DFOCC", true]], "mo_elec_dip_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_elec_dip_deriv1", false]], "mo_erf_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_erf_eri", false]], "mo_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_eri", false]], "mo_extents() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.mo_extents", false]], "mo_f12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12", false]], "mo_f12_double_commutator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12_double_commutator", false]], "mo_f12_squared() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12_squared", false]], "mo_f12g12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_f12g12", false]], "mo_maxiter (dfocc)": [[1704, "term-MO_MAXITER-DFOCC", true]], "mo_maxiter (occ)": [[1704, "term-MO_MAXITER-OCC", true]], "mo_oei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_oei_deriv1", false]], "mo_oei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_oei_deriv2", false]], "mo_overlap_half_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_overlap_half_deriv1", false]], "mo_read (mcscf)": [[1704, "term-MO_READ-MCSCF", true]], "mo_read (occ)": [[1704, "term-MO_READ-OCC", true]], "mo_spin_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_spin_eri", false]], "mo_step_max (dfocc)": [[1704, "term-MO_STEP_MAX-DFOCC", true]], "mo_step_max (occ)": [[1704, "term-MO_STEP_MAX-OCC", true]], "mo_tei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_tei_deriv1", false]], "mo_tei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_tei_deriv2", false]], "mo_transform() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_transform", false]], "mo_write (occ)": [[1704, "term-MO_WRITE-OCC", true]], "module": [[1772, "module-psi4.driver.qcdb.vib", false], [1827, "module-psi4.core", false], [1827, "module-psi4.driver", false], [1827, "module-psi4.driver.p4util", false]], "module (cphf)": [[1704, "term-MODULE-CPHF", true]], "module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.module", false]], "mofa() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFa", false]], "mofb() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFb", false]], "mofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFeff", false]], "mograd_damping (occ)": [[1704, "term-MOGRAD_DAMPING-OCC", true]], "molden": [[1791, "index-0", false]], "molden() (in module psi4.driver)": [[314, "psi4.driver.molden", false]], "molden_with_virtual (globals)": [[1704, "term-MOLDEN_WITH_VIRTUAL-GLOBALS", true]], "molden_write (dfocc)": [[1704, "term-MOLDEN_WRITE-DFOCC", true]], "molden_write (scf)": [[1704, "term-MOLDEN_WRITE-SCF", true]], "moldenwriter (class in psi4.core)": [[104, "psi4.core.MoldenWriter", false]], "molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.molecular_charge", false]], "moleculargrid (class in psi4.core)": [[105, "psi4.core.MolecularGrid", false]], "molecule": [[1782, "index-4", false], [1833, "index-0", false], [1833, "index-1", false], [1833, "index-2", false], [1833, "index-3", false], [1833, "index-4", false], [1833, "index-5", false], [1833, "index-7", false]], "molecule (class in psi4.core)": [[106, "psi4.core.Molecule", false]], "molecule (class in psi4.driver.qcdb)": [[1768, "psi4.driver.qcdb.Molecule", false]], "molecule (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.molecule", false]], "molecule (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.molecule", false]], "molecule (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.molecule", false]], "molecule (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.molecule", false]], "molecule specification": [[1782, "index-4", false]], "molecule() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.molecule", false]], "molecule() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.molecule", false]], "molecule() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.molecule", false]], "molecule_get_attr() (in module psi4.driver)": [[315, "psi4.driver.molecule_get_attr", false]], "molecule_set_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_set_attr", false]], "mom": [[1838, "index-2", false]], "mom_excited_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.MOM_excited_", false]], "mom_occ (scf)": [[1704, "term-MOM_OCC-SCF", true]], "mom_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.MOM_performed_", false]], "mom_start (scf)": [[1704, "term-MOM_START-SCF", true]], "mom_vir (scf)": [[1704, "term-MOM_VIR-SCF", true]], "montage": [[1750, "envvar-MONTAGE", false], [1750, "index-2", false]], "mospace (class in psi4.core)": [[98, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[99, "psi4.core.MOWriter", false]], "mp2": [[1756, "index-0", false]], "mp2 alpha-alpha pair energies": [[1776, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1776, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1776, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1776, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1776, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1776, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1776, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1776, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1776, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1776, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1776, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1776, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1776, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1776, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1776, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1776, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1776, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1776, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1776, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1776, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1704, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1704, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1704, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1704, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1704, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1704, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1704, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1704, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1704, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1704, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1704, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1704, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1704, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1704, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1704, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1704, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1704, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1704, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1704, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1776, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1776, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1776, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1776, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1776, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1776, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1771, "index-1", false]], "mp4 correlation energy": [[1776, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1776, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1776, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1776, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1776, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1776, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1776, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1704, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1704, "term-MPN-DETCI", true]], "mpn correlation energy": [[1776, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1776, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1704, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1704, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1704, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1792, "index-0", false]], "mrcc total energy": [[1776, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[216, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1704, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[217, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1704, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1704, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1704, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1704, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1704, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1704, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1776, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1704, "term-MS0-DETCI", true]], "mtd 128-pole": [[1776, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1776, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1776, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1776, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1776, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1776, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1776, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1776, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1789, "index-2", false]], "multiple fragments": [[1833, "index-7", false]], "multiple in input file": [[1833, "index-1", false]], "multiple within molecule": [[1730, "index-1", false]], "multiplicity": [[1833, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[107, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[108, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1829, "index-0", false]], "n() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.n", false]], "n() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.n", false]], "n_ecp_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_core", false]], "n_ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_shell_on_center", false]], "n_frozen_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_frozen_core", false]], "nablaint (class in psi4.core)": [[109, "psi4.core.NablaInt", false]], "nallatom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nallatom", false]], "nalpha() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalpha", false]], "nalphapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalphapi", false]], "name (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.name", false]], "name (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.name", false]], "name (psi4.core.dimension attribute)": [[64, "psi4.core.Dimension.name", false]], "name (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[88, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[148, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.name", false]], "name() (psi4.core.functional method)": [[80, "psi4.core.Functional.name", false]], "name() (psi4.core.jk method)": [[92, "psi4.core.JK.name", false]], "name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.name", false]], "name() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.name", false]], "name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.name", false]], "name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.name", false]], "nao() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nao", false]], "nat_orbs (detci)": [[1704, "term-NAT_ORBS-DETCI", true]], "nat_orbs (dfocc)": [[1704, "term-NAT_ORBS-DFOCC", true]], "nat_orbs (fnocc)": [[1704, "term-NAT_ORBS-FNOCC", true]], "nat_orbs (occ)": [[1704, "term-NAT_ORBS-OCC", true]], "nat_orbs_t2 (sapt)": [[1704, "term-NAT_ORBS_T2-SAPT", true]], "nat_orbs_t3 (sapt)": [[1704, "term-NAT_ORBS_T3-SAPT", true]], "nat_orbs_v4 (sapt)": [[1704, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1776, "psivar-NAUX-CC", false]], "naux (scf)": [[1776, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[147, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1776, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1776, "psivar-NBODY-NUMBER", false]], "nbody() (in module psi4.driver.driver_nbody)": [[1794, "psi4.driver.driver_nbody.nbody", false]], "ncartesian (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.ncartesian", false]], "ncd() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.ncd", false]], "ncenter (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.ncenter", false]], "ndet() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.ndet", false]], "needs_grac() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_grac", false]], "needs_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_vv10", false]], "needs_xc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.needs_xc", false]], "new_civector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.new_civector", false]], "new_triples (ccenergy)": [[1704, "term-NEW_TRIPLES-CCENERGY", true]], "new_triples (cceom)": [[1704, "term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.new_vector", false]], "next() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.next", false]], "nfragments (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nfragments", false]], "nfrzc() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nfrzc", false]], "nfunction (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.nfunction", false]], "ngamma() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.ngamma", false]], "nil() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.nil", false]], "nirrep() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.nirrep", false]], "nirrep() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.nirrep", false]], "nirrep() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.nirrep", false]], "nirrep() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.nirrep", false]], "nirrep() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.nirrep", false]], "nirrep() (psi4.core.vector method)": [[148, "psi4.core.Vector.nirrep", false]], "nirrep() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nirrep", false]], "nl_dispersion_parameters (scf)": [[1704, "term-NL_DISPERSION_PARAMETERS-SCF", true]], "nmo() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nmo", false]], "nmopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nmopi", false]], "no_dfile (detci)": [[1704, "term-NO_DFILE-DETCI", true]], "no_occupations() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.no_occupations", false]], "no_reorient": [[1833, "index-2", false]], "no_singles (psimrcc)": [[1704, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1794, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1704, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[148, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[148, "psi4.core.Vector.np_read", false]], "np_write() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.np_write", false]], "np_write() (psi4.core.vector method)": [[148, "psi4.core.Vector.np_write", false]], "nph (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.nph", false]], "nph (psi4.core.vector attribute)": [[148, "psi4.core.Vector.nph", false]], "npoints() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.npoints", false]], "npoints() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.npoints", false]], "nprimitive (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.nprimitive", false]], "nprimitive() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nprimitive", false]], "nshell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nshell", false]], "nshell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nshell_on_center", false]], "nso() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nso", false]], "nsopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nsopi", false]], "nuclear repulsion energy": [[1776, "psivar-NUCLEAR-REPULSION-ENERGY", false]], "nuclear() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.nuclear", false]], "nuclear_dipole() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_dipole", false]], "nuclear_repulsion_energy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy", false]], "nuclear_repulsion_energy_deriv1() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy_deriv1", false]], "nuclear_repulsion_energy_deriv2() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy_deriv2", false]], "num_amps_print (ccenergy)": [[1704, "term-NUM_AMPS_PRINT-CCENERGY", true]], "num_amps_print (cceom)": [[1704, "term-NUM_AMPS_PRINT-CCEOM", true]], "num_amps_print (cclambda)": [[1704, "term-NUM_AMPS_PRINT-CCLAMBDA", true]], "num_amps_print (ccresponse)": [[1704, "term-NUM_AMPS_PRINT-CCRESPONSE", true]], "num_amps_print (detci)": [[1704, "term-NUM_AMPS_PRINT-DETCI", true]], "num_core_orbitals (adc)": [[1704, "term-NUM_CORE_ORBITALS-ADC", true]], "num_dets_print (detci)": [[1704, "term-NUM_DETS_PRINT-DETCI", true]], "num_frozen_docc (globals)": [[1704, "term-NUM_FROZEN_DOCC-GLOBALS", true]], "num_frozen_uocc (globals)": [[1704, "term-NUM_FROZEN_UOCC-GLOBALS", true]], "num_guesses (adc)": [[1704, "term-NUM_GUESSES-ADC", true]], "num_init_vecs (detci)": [[1704, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1704, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[110, "psi4.core.NumIntHelper", false]], "numpy": [[1797, "index-0", false]], "occ() (in module psi4.core)": [[218, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.occ", false]], "occ_orbs_print (dfocc)": [[1704, "term-OCC_ORBS_PRINT-DFOCC", true]], "occ_orbs_print (occ)": [[1704, "term-OCC_ORBS_PRINT-OCC", true]], "occ_percentage (fnocc)": [[1704, "term-OCC_PERCENTAGE-FNOCC", true]], "occ_tolerance (fnocc)": [[1704, "term-OCC_TOLERANCE-FNOCC", true]], "occ_tolerance (sapt)": [[1704, "term-OCC_TOLERANCE-SAPT", true]], "occupation_a() (psi4.core.hf method)": [[84, "psi4.core.HF.occupation_a", false]], "occupation_b() (psi4.core.hf method)": [[84, "psi4.core.HF.occupation_b", false]], "ocepa(0) correlation energy": [[1776, "psivar-OCEPA-0-CORRELATION-ENERGY", false]], "ocepa(0) total energy": [[1776, "psivar-OCEPA-0-TOTAL-ENERGY", false]], "odc_guess (dct)": [[1704, "term-ODC_GUESS-DCT", true]], "oeprop": [[1799, "index-0", false]], "oeprop (class in psi4.core)": [[111, "psi4.core.OEProp", false]], "oeprop (dfocc)": [[1704, "term-OEPROP-DFOCC", true]], "oeprop (occ)": [[1704, "term-OEPROP-OCC", true]], "oeprop() (in module psi4.driver)": [[317, "psi4.driver.oeprop", false]], "oeprop() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.oeprop", false]], "offdiagonal_ccsd_t (psimrcc)": [[1704, "term-OFFDIAGONAL_CCSD_T-PSIMRCC", true]], "olccd": [[1798, "index-1", false], [1798, "index-5", false]], "olccd correlation energy": [[1776, "psivar-OLCCD-CORRELATION-ENERGY", false]], "olccd doubles energy": [[1776, "psivar-OLCCD-DOUBLES-ENERGY", false]], "olccd opposite-spin correlation energy": [[1776, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "olccd reference correction energy": [[1776, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", false]], "olccd same-spin correlation energy": [[1776, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "olccd singles energy": [[1776, "psivar-OLCCD-SINGLES-ENERGY", false]], "olccd total energy": [[1776, "psivar-OLCCD-TOTAL-ENERGY", false]], "omega (ccresponse)": [[1704, "term-OMEGA-CCRESPONSE", true]], "omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.omega", false]], "omega_erf (mints)": [[1704, "term-OMEGA_ERF-MINTS", true]], "omp2": [[1798, "index-1", false], [1798, "index-2", false]], "omp2 correlation energy": [[1776, "psivar-OMP2-CORRELATION-ENERGY", false]], "omp2 doubles energy": [[1776, "psivar-OMP2-DOUBLES-ENERGY", false]], "omp2 opposite-spin correlation energy": [[1776, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2 reference correction energy": [[1776, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", false]], "omp2 same-spin correlation energy": [[1776, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2 total energy": [[1776, "psivar-OMP2-TOTAL-ENERGY", false]], "omp2.5": [[1798, "index-4", false]], "omp2.5 correlation energy": [[1776, "psivar-OMP2.5-CORRELATION-ENERGY", false]], "omp2.5 doubles energy": [[1776, "psivar-OMP2.5-DOUBLES-ENERGY", false]], "omp2.5 opposite-spin correlation energy": [[1776, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2.5 reference correction energy": [[1776, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", false]], "omp2.5 same-spin correlation energy": [[1776, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2.5 total energy": [[1776, "psivar-OMP2.5-TOTAL-ENERGY", false]], "omp3": [[1798, "index-1", false], [1798, "index-3", false]], "omp3 correlation energy": [[1776, "psivar-OMP3-CORRELATION-ENERGY", false]], "omp3 doubles energy": [[1776, "psivar-OMP3-DOUBLES-ENERGY", false]], "omp3 opposite-spin correlation energy": [[1776, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp3 reference correction energy": [[1776, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", false]], "omp3 same-spin correlation energy": [[1776, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", false]], "omp3 total energy": [[1776, "psivar-OMP3-TOTAL-ENERGY", false]], "omp_nested": [[1756, "index-2", false], [1756, "index-3", false], [1767, "envvar-OMP_NESTED", false]], "omp_num_threads": [[661, "index-0", false], [1206, "index-0", false], [1224, "index-0", false], [1240, "index-0", false], [1704, "index-0", false], [1704, "index-1", false], [1743, "index-9", false], [1767, "envvar-OMP_NUM_THREADS", false], [1767, "index-14", false], [1767, "index-7", false]], "one-electron energy": [[1776, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[112, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[113, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1704, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1704, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1704, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1704, "term-OPDM-DCT", true]], "opdm (detci)": [[1704, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.opdm", false]], "opdm_only (ccdensity)": [[1704, "term-OPDM_ONLY-CCDENSITY", true]], "opdm_relax (ccdensity)": [[1704, "term-OPDM_RELAX-CCDENSITY", true]], "opdm_relax (dfmp2)": [[1704, "term-OPDM_RELAX-DFMP2", true]], "open() (psi4.core.io method)": [[86, "psi4.core.IO.open", false]], "open_check() (psi4.core.io method)": [[86, "psi4.core.IO.open_check", false]], "operate() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.operate", false]], "opt()": [[1800, "index-0", false]], "opt() (in module psi4.driver)": [[318, "psi4.driver.opt", false]], "opt_coordinates (optking)": [[1704, "term-OPT_COORDINATES-OPTKING", true]], "opt_method (dfocc)": [[1704, "term-OPT_METHOD-DFOCC", true]], "opt_method (occ)": [[1704, "term-OPT_METHOD-OCC", true]], "opt_restart (optking)": [[1704, "term-OPT_RESTART-OPTKING", true]], "opt_type (optking)": [[1704, "term-OPT_TYPE-OPTKING", true]], "optimization iterations": [[1776, "psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[270, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1800, "index-0", false]], "optimize() (in module psi4.driver)": [[319, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[320, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[219, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[114, "psi4.core.Options", false]], "options() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.options", false]], "options_to_python() (in module psi4.core)": [[220, "psi4.core.options_to_python", false]], "optionsstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionsState", false]], "optionsstatecm() (in module psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsStateCM", false]], "optionstate (class in psi4.driver.p4util)": [[326, "psi4.driver.p4util.OptionState", false]], "orb_opt (dfocc)": [[1704, "term-ORB_OPT-DFOCC", true]], "orb_opt (occ)": [[1704, "term-ORB_OPT-OCC", true]], "orb_resp_solver (dfocc)": [[1704, "term-ORB_RESP_SOLVER-DFOCC", true]], "orb_resp_solver (occ)": [[1704, "term-ORB_RESP_SOLVER-OCC", true]], "orbital-optimized methods": [[1798, "index-1", false]], "orbital-optimized methods, olccd": [[1798, "index-0", false]], "orbital-optimized methods, omp2": [[1798, "index-0", false]], "orbital-optimized methods, 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false]], "orth_type (dfocc)": [[1704, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1704, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1704, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[221, "psi4.core.outfile_name", false]], "output": [[1740, "index-2", false], [1752, "index-3", false], [1802, "index-4", false], [1837, "index-5", false], [1843, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.overlap", false]], "overlap_3c() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.overlap_3c", false]], "overlap_check (cceom)": [[1704, "term-OVERLAP_CHECK-CCEOM", true]], "overlap_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.overlap_grad", false]], "overlapint (class in psi4.core)": [[116, "psi4.core.OverlapInt", false]], "owner_group (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.owner_group", false]], "p (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.p", false]], "p (thermo)": [[1704, "term-P-THERMO", true]], "pair_energies_print (ccenergy)": [[1704, "term-PAIR_ENERGIES_PRINT-CCENERGY", true]], "parallel (scf)": [[1704, "term-PARALLEL-SCF", true]], "parallel operation": [[1767, "index-6", false]], "parent_atom() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.parent_atom", false]], "parent_symmetry (globals)": [[1704, "term-PARENT_SYMMETRY-GLOBALS", true]], "parsingerror": [[271, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[272, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [106, "index-0", false], [1738, "index-1", false], [1738, "index-10", false], [1738, "index-11", false], [1738, "index-12", false], [1738, "index-13", false], [1738, "index-14", false], [1738, "index-15", false], [1738, "index-16", false], [1738, "index-17", false], [1738, "index-18", false], [1738, "index-19", false], [1738, "index-24", false], [1738, "index-25", false], [1738, "index-26", false], [1738, "index-5", false], [1738, "index-7", false], [1743, "index-1", false], [1743, "index-3", false], [1743, "index-5", false], [1743, "index-7", false], [1748, "index-0", false], [1748, "index-3", false], [1748, "index-5", false], [1748, "index-6", false], [1748, "index-7", false], [1759, "index-1", false], [1767, "envvar-PATH", false], [1767, "index-17", false], [1767, "index-18", false], [1774, "index-1", false], [1774, "index-2", false], [1792, "index-1", false]], "pbs queueing system": [[1767, "index-9", false]], "pcg_beta_type (dfocc)": [[1704, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1704, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1704, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1704, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1704, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1704, "term-PCG_MAXITER-OCC", true]], "pcm": [[1754, "index-0", false], [1803, "index-0", false], [1803, "index-1", false]], "pcm (globals)": [[1704, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1776, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1704, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.PCM_enabled", false]], "pcm_helper() (in module psi4.driver)": [[379, "psi4.driver.pcm_helper", false]], "pcm_helper() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.pcm_helper", false]], "pcm_scf_type (pcm)": [[1704, "term-PCM_SCF_TYPE-PCM", true]], "pcmsolver": [[1803, "index-0", false]], "pcmsolver_parsed_fname (pcm)": [[1704, "term-PCMSOLVER_PARSED_FNAME-PCM", true]], "pe": [[1749, "index-0", false], [1749, "index-1", false]], "pe (globals)": [[1704, "term-PE-GLOBALS", true]], "pe energy": [[1776, "psivar-PE-ENERGY", false]], "pe_ecp (pe)": [[1704, "term-PE_ECP-PE", true]], "pep1": [[1804, "index-0", false]], "perturb_cbs (psimrcc)": [[1704, "term-PERTURB_CBS-PSIMRCC", true]], "perturb_cbs_coupling (psimrcc)": [[1704, "term-PERTURB_CBS_COUPLING-PSIMRCC", true]], "perturb_dipole (scf)": [[1704, "term-PERTURB_DIPOLE-SCF", true]], "perturb_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.perturb_grad", false]], "perturb_h (scf)": [[1704, "term-PERTURB_H-SCF", true]], "perturb_magnitude (detci)": [[1704, "term-PERTURB_MAGNITUDE-DETCI", true]], "perturb_magnitude (scf)": [[1704, "term-PERTURB_MAGNITUDE-SCF", true]], "perturb_with (scf)": [[1704, "term-PERTURB_WITH-SCF", true]], "petite_list() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.petite_list", false]], "petite_list() (psi4.core.sobasisset method)": [[132, "psi4.core.SOBasisSet.petite_list", false]], "petite_list1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.petite_list1", false]], "petitelist (class in psi4.core)": [[118, "psi4.core.PetiteList", false]], "phi_points (scf)": [[1704, "term-PHI_POINTS-SCF", true]], "physconst": [[1706, "index-0", false]], "physical constants": [[1832, "index-0", false]], "pitzer_to_ci_order_onel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_onel", false]], "pitzer_to_ci_order_twoel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_twoel", false]], "pk_all_nonsym (scf)": [[1704, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1704, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1768, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.play", false]], "plugin": [[1807, "index-0", false]], "plugin() (in module psi4.core)": [[222, "psi4.core.plugin", false]], "plugin_close() (in module psi4.core)": [[223, "psi4.core.plugin_close", false]], "plugin_close_all() (in module psi4.core)": [[224, "psi4.core.plugin_close_all", false]], "plugin_load() (in module psi4.core)": [[225, "psi4.core.plugin_load", false]], "plump_qcvar() (in module psi4.driver.p4util)": [[367, "psi4.driver.p4util.plump_qcvar", false]], "pmlocalizer (class in psi4.core)": [[117, "psi4.core.PMLocalizer", false]], "pno_convergence (dlpno)": [[1704, "term-PNO_CONVERGENCE-DLPNO", true]], "point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.point_group", false]], "point_values() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.point_values", false]], "pointfunctions (class in psi4.core)": [[119, "psi4.core.PointFunctions", false]], "pointgroup (class in psi4.core)": [[120, "psi4.core.PointGroup", false]], "points (findif)": [[1704, "term-POINTS-FINDIF", true]], "pop() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.pop", false]], "populateextern() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.populateExtern", false]], "position_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.position_camera", false]], "potential_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.potential_grad", false]], "potential_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.potential_integral", false]], "potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.potential_variable", false]], "potential_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.potential_variables", false]], "potentialint (class in psi4.core)": [[121, "psi4.core.PotentialInt", false]], "potfile (pe)": [[1704, "term-POTFILE-PE", true]], "power() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.power", false]], "ppl_type (dfocc)": [[1704, "term-PPL_TYPE-DFOCC", true]], "precondition() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.precondition", false]], "preconditioner (detci)": [[1704, "term-PRECONDITIONER-DETCI", true]], "prefactor_ecd() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.prefactor_ecd", false]], "prefactor_opa() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_opa", false]], "prepare_options_for_module() (in module psi4.core)": [[226, "psi4.core.prepare_options_for_module", false]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prepare_options_for_modules", false]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_set_options", false]], "prepare_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.prepare_results", false]], "prerequisites": [[1738, "index-0", false]], "presort_so_tei() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.presort_so_tei", false]], "primitivetype (class in psi4.core)": [[122, "psi4.core.PrimitiveType", false]], "print (cphf)": [[1704, "term-PRINT-CPHF", true]], "print (efp)": [[1704, "term-PRINT-EFP", true]], "print (globals)": [[1704, "term-PRINT-GLOBALS", true]], "print (sapt)": [[1704, "term-PRINT-SAPT", true]], "print() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1704, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_density_threshold", false]], "print_detail() (psi4.core.functional method)": [[80, "psi4.core.Functional.print_detail", false]], "print_detail() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_detail", false]], "print_detail_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_detail_out", false]], "print_distances() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_distances", false]], "print_dpd_lookup() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.print_dpd_lookup", false]], "print_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.print_energies", false]], "print_energy() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_energy", false]], "print_global_options() (in module psi4.core)": [[227, "psi4.core.print_global_options", false]], "print_global_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_global_options", false]], "print_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_gradient", false]], "print_header() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.print_header", false]], "print_header() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[84, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[92, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[147, "psi4.core.VBase.print_header", false]], "print_hessian() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_hessian", false]], "print_in_input_format() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.print_molden_vibs", false]], "print_mos (scf)": [[1704, "term-PRINT_MOS-SCF", true]], "print_noons (globals)": [[1704, "term-PRINT_NOONS-GLOBALS", true]], "print_opt_params (optking)": [[1704, "term-PRINT_OPT_PARAMS-OPTKING", true]], "print_options() (in module psi4.core)": [[228, "psi4.core.print_options", false]], "print_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.print_orbitals", false]], "print_out() (in module psi4.core)": [[229, "psi4.core.print_out", false]], "print_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_out", false]], "print_out() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.print_out", false]], "print_out() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.print_out", false]], "print_out() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.print_out", false]], "print_out() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.print_out", false]], "print_out() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_out", false]], "print_out() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.print_out", false]], "print_out() (psi4.core.functional method)": [[80, "psi4.core.Functional.print_out", false]], "print_out() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.print_out", false]], "print_out() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.print_out", false]], "print_out() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.print_out", false]], "print_out() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out", false]], "print_out() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.print_out", false]], "print_out() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.print_out", false]], "print_out() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_out", false]], "print_out() (psi4.core.vector method)": [[148, "psi4.core.Vector.print_out", false]], "print_out() (psi4.driver.empiricaldispersion method)": [[267, "psi4.driver.EmpiricalDispersion.print_out", false]], "print_out_in_angstrom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_angstrom", false]], "print_out_in_bohr() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_bohr", false]], "print_out_of_planes() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_of_planes", false]], "print_preiterations() (psi4.core.hf method)": [[84, "psi4.core.HF.print_preiterations", false]], "print_rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_rotational_constants", false]], "print_stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.print_stability_analysis", false]], "print_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.print_tensor_pqQ", false]], "print_trailer() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.print_trailer", false]], "print_trajectory_xyz_file (optking)": [[1704, "term-PRINT_TRAJECTORY_XYZ_FILE-OPTKING", true]], "print_variables() (in module psi4.core)": [[230, "psi4.core.print_variables", false]], "print_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.print_vector", false]], "print_vibs() (in module psi4.driver.qcdb.vib)": [[389, "psi4.driver.qcdb.vib.print_vibs", false]], "priority (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.priority", false]], "process_grid (scf)": [[1704, "term-PROCESS_GRID-SCF", true]], "process_input() (in module psi4.driver)": [[380, "psi4.driver.process_input", false]], "process_input() (in module psi4.driver.inputparser)": [[1768, "psi4.driver.inputparser.process_input", false]], "project_densities() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.project_densities", false]], "prop (class in psi4.core)": [[123, "psi4.core.Prop", false]], "prop()": [[1826, "index-0", false]], "prop() (in module psi4.driver)": [[381, "psi4.driver.prop", false]], "prop_all (ccdensity)": [[1704, "term-PROP_ALL-CCDENSITY", true]], "prop_all (cclambda)": [[1704, "term-PROP_ALL-CCLAMBDA", true]], "prop_root (ccdensity)": [[1704, "term-PROP_ROOT-CCDENSITY", true]], "prop_root (cceom)": [[1704, "term-PROP_ROOT-CCEOM", true]], "prop_root (cclambda)": [[1704, "term-PROP_ROOT-CCLAMBDA", true]], "prop_sym (ccdensity)": [[1704, "term-PROP_SYM-CCDENSITY", true]], "prop_sym (cceom)": [[1704, "term-PROP_SYM-CCEOM", true]], "prop_sym (cclambda)": [[1704, "term-PROP_SYM-CCLAMBDA", true]], "properties (globals)": [[1704, "term-PROPERTIES-GLOBALS", true]], "properties()": [[1826, "index-0", false]], "properties() (in module psi4.driver)": [[382, "psi4.driver.properties", false]], "properties() (psi4.core.vbase method)": [[147, "psi4.core.VBase.properties", false]], "properties_origin (globals)": [[1704, "term-PROPERTIES_ORIGIN-GLOBALS", true]], "property (ccenergy)": [[1704, "term-PROPERTY-CCENERGY", true]], "property (ccresponse)": [[1704, "term-PROPERTY-CCRESPONSE", true]], "protocols (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.protocols", false]], "protointvector (class in psi4.core)": [[124, "psi4.core.ProtoIntVector", false]], "protovector (class in psi4.core)": [[125, "psi4.core.ProtoVector", false]], "provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.provenance", false]], "provenance_stamp() (in module psi4.driver.p4util)": [[372, "psi4.driver.p4util.provenance_stamp", false]], "pseudoinverse() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.pseudoinverse", false]], "psi4 command line option": [[1767, "cmdoption-psi4-V", false], [1767, "cmdoption-psi4-a", false], [1767, "cmdoption-psi4-h", false], [1767, "cmdoption-psi4-i", false], [1767, "cmdoption-psi4-inplace", false], [1767, "cmdoption-psi4-k", false], [1767, "cmdoption-psi4-l", false], [1767, "cmdoption-psi4-loglevel", false], [1767, "cmdoption-psi4-m", false], [1767, "cmdoption-psi4-memory", false], [1767, "cmdoption-psi4-module", false], [1767, "cmdoption-psi4-n", false], [1767, "cmdoption-psi4-o", false], [1767, "cmdoption-psi4-psiapi-path", false], [1767, "cmdoption-psi4-qcschema", false], [1767, "cmdoption-psi4-s", false], [1767, "cmdoption-psi4-t", false], [1767, "cmdoption-psi4-v", false]], "psi4.core": [[1827, "module-psi4.core", false]], "psi4.driver": [[1827, "module-psi4.driver", false]], "psi4.driver.p4util": [[1827, "module-psi4.driver.p4util", false]], "psi4.driver.qcdb.vib": [[1772, "module-psi4.driver.qcdb.vib", false]], "psi4fockci": [[1805, "index-0", false]], "psi4rc": [[1767, "index-4", false]], "psi_scratch": [[1738, "index-27", false], [1748, "index-1", false], [1748, "index-2", false], [1748, "index-4", false], [1748, "index-8", false], [1767, "envvar-PSI_SCRATCH", false], [1767, "index-1", false], [1767, "index-12", false], [1767, "index-15", false], [1767, "index-19", false], [1767, "index-2", false], [1767, "index-3", false], [1767, "index-5", false]], "psi_top_srcdir() (in module psi4.core)": [[231, "psi4.core.psi_top_srcdir", false]], "psiclean() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.psiclean", false]], "psidatadir": [[194, "index-0", false], [245, "index-0", false], [1738, "index-3", false], [1738, "index-8", false], [1738, "index-9", false], [1767, "envvar-PSIDATADIR", false], [1767, "index-10", false], [1767, "index-13", false], [1767, "index-8", false], [1827, "index-2", false], [1827, "index-3", false]], "psiexception": [[273, "psi4.driver.PsiException", false]], "psimrcc() (in module psi4.core)": [[232, "psi4.core.psimrcc", false]], "psio_entry (class in psi4.core)": [[233, "psi4.core.psio_entry", false]], "psioh": [[1708, "index-0", false]], "psipath": [[106, "index-1", false], [1730, "index-4", false], [1730, "index-5", false], [1743, "index-2", false], [1743, "index-4", false], [1743, "index-6", false], [1743, "index-8", false], [1767, "envvar-PSIPATH", false], [1767, "index-11", false], [1767, "index-16", false], [1767, "index-20", false], [1767, "index-21", false], [1767, "index-22", false], [1767, "index-23", false], [1774, "index-3", false], [1782, "index-2", false], [1782, "index-3", false], [1808, "index-1", false], [1835, "index-1", false]], "psirc": [[1767, "index-4", false]], "psireturntype (class in psi4.core)": [[126, "psi4.core.PsiReturnType", false]], "pt_energy (psimrcc)": [[1704, "term-PT_ENERGY-PSIMRCC", true]], "pubchem": [[1833, "index-5", false]], "pure (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.Pure", false]], "puream (globals)": [[1704, "term-PUREAM-GLOBALS", true]], "push_back_external_potential() (psi4.core.hf method)": [[84, "psi4.core.HF.push_back_external_potential", false]], "pythonpath": [[2, "index-0", false], [1738, "index-2", false], [1738, "index-4", false], [1738, "index-6", false], [1752, "index-1", false], [1752, "index-2", false], [1759, "index-2", false], [1767, "envvar-PYTHONPATH", false], [1767, "index-24", false], [1806, "index-1", false], [1807, "index-1", false], [1807, "index-2", false], [1808, "index-0", false]], "q (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.q", false]], "qc_coupling (dct)": [[1704, "term-QC_COUPLING-DCT", true]], "qc_module (globals)": [[1704, "term-QC_MODULE-GLOBALS", true]], "qc_type (dct)": [[1704, "term-QC_TYPE-DCT", true]], "qchf (dfocc)": [[1704, "term-QCHF-DFOCC", true]], "qchf (scf)": [[1704, "term-QCHF-SCF", true]], "qcisd correlation energy": [[1776, "psivar-QCISD-CORRELATION-ENERGY", false]], "qcisd doubles energy": [[1776, "psivar-QCISD-DOUBLES-ENERGY", false]], "qcisd opposite-spin correlation energy": [[1776, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "qcisd same-spin correlation energy": [[1776, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", false]], "qcisd singles energy": [[1776, "psivar-QCISD-SINGLES-ENERGY", false]], "qcisd total energy": [[1776, "psivar-QCISD-TOTAL-ENERGY", false]], "qcisd(t)": [[1771, "index-1", false]], "qcisd(t) correction energy": [[1776, "psivar-QCISD-T-CORRECTION-ENERGY", false]], "qcisd(t) correlation energy": [[1776, "psivar-QCISD-T-CORRELATION-ENERGY", false]], "qcisd(t) total energy": [[1776, "psivar-QCISD-T-TOTAL-ENERGY", false]], "qmefp (efp)": [[1704, "term-QMEFP-EFP", true]], "qmmm (class in psi4.driver)": [[274, "psi4.driver.QMMM", false]], "qmmmbohr (class in psi4.driver)": [[275, "psi4.driver.QMMMbohr", false]], "qmo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qmo", false]], "qoo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qoo", false]], "qov() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qov", false]], "qso() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qso", false]], "quadrature_values() (psi4.core.vbase method)": [[147, "psi4.core.VBase.quadrature_values", false]], "quadrupoleint (class in psi4.core)": [[127, "psi4.core.QuadrupoleInt", false]], "query_libxc() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.query_libxc", false]], "quiet (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.quiet", false]], "qvv() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Qvv", false]], "r (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.r", false]], "r4s (detci)": [[1704, "term-R4S-DETCI", true]], "r_a() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.R_A", false]], "r_b() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.R_B", false]], "r_convergence (adc)": [[1704, "term-R_CONVERGENCE-ADC", true]], "r_convergence (ccenergy)": [[1704, "term-R_CONVERGENCE-CCENERGY", true]], "r_convergence (cceom)": [[1704, "term-R_CONVERGENCE-CCEOM", true]], "r_convergence (cclambda)": [[1704, "term-R_CONVERGENCE-CCLAMBDA", true]], "r_convergence (ccresponse)": [[1704, "term-R_CONVERGENCE-CCRESPONSE", true]], "r_convergence (dct)": [[1704, "term-R_CONVERGENCE-DCT", true]], "r_convergence (detci)": [[1704, "term-R_CONVERGENCE-DETCI", true]], "r_convergence (dfocc)": [[1704, "term-R_CONVERGENCE-DFOCC", true]], "r_convergence (dlpno)": [[1704, "term-R_CONVERGENCE-DLPNO", true]], "r_convergence (fnocc)": [[1704, "term-R_CONVERGENCE-FNOCC", true]], "r_convergence (occ)": [[1704, "term-R_CONVERGENCE-OCC", true]], "r_convergence (psimrcc)": [[1704, "term-R_CONVERGENCE-PSIMRCC", true]], "r_points (scf)": [[1704, "term-R_POINTS-SCF", true]], "radial_scale (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radial_scale", false]], "radii (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.radii", false]], "radius (scf)": [[1704, "term-RADIUS-SCF", true]], "random phase approximation": [[1841, "index-0", false]], "ranged_bend (optking)": [[1704, "term-RANGED_BEND-OPTKING", true]], "ranged_dihedral (optking)": [[1704, "term-RANGED_DIHEDRAL-OPTKING", true]], "ranged_distance (optking)": [[1704, "term-RANGED_DISTANCE-OPTKING", true]], "ranged_oofp (optking)": [[1704, "term-RANGED_OOFP-OPTKING", true]], "ras1 (globals)": [[1704, "term-RAS1-GLOBALS", true]], "ras2 (globals)": [[1704, "term-RAS2-GLOBALS", true]], "ras3 (globals)": [[1704, "term-RAS3-GLOBALS", true]], "ras34_max (detci)": [[1704, "term-RAS34_MAX-DETCI", true]], "ras3_max (detci)": [[1704, "term-RAS3_MAX-DETCI", true]], "ras4 (globals)": [[1704, "term-RAS4-GLOBALS", true]], "ras4_max (detci)": [[1704, "term-RAS4_MAX-DETCI", true]], "raw_compute_properties() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.raw_compute_properties", false]], "raw_plot() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.raw_plot", false]], "read() (psi4.core.civector method)": [[12, "psi4.core.CIVector.read", false]], "read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.read_globals", false]], "read_scf_3index (dfocc)": [[1704, "term-READ_SCF_3INDEX-DFOCC", true]], "real (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Real", false]], "reference (adc)": [[1704, "term-REFERENCE-ADC", true]], "reference (ccdensity)": [[1704, "term-REFERENCE-CCDENSITY", true]], "reference (ccenergy)": [[1704, "term-REFERENCE-CCENERGY", true]], "reference (cceom)": [[1704, "term-REFERENCE-CCEOM", true]], "reference (ccresponse)": [[1704, "term-REFERENCE-CCRESPONSE", true]], "reference (cctransort)": [[1704, "term-REFERENCE-CCTRANSORT", true]], "reference (cctriples)": [[1704, "term-REFERENCE-CCTRIPLES", true]], "reference (dct)": [[1704, "term-REFERENCE-DCT", true]], "reference (detci)": [[1704, "term-REFERENCE-DETCI", true]], "reference (mcscf)": [[1704, "term-REFERENCE-MCSCF", true]], "reference (scf)": [[1704, "term-REFERENCE-SCF", true]], "reference_sym (detci)": [[1704, "term-REFERENCE_SYM-DETCI", true]], "reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.reference_wavefunction", false]], "refresh() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.refresh", false]], "reg_param (dfocc)": [[1704, "term-REG_PARAM-DFOCC", true]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.register_composite_function", false]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.register_xtpl_function", false]], "regularization (dfocc)": [[1704, "term-REGULARIZATION-DFOCC", true]], "rehash() (psi4.core.io method)": [[86, "psi4.core.IO.rehash", false]], "reinterpret_coordentry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reinterpret_coordentry", false]], "relativistic": [[1836, "index-0", false]], "relativistic (globals)": [[1704, "term-RELATIVISTIC-GLOBALS", true]], "relax_guess_orbitals (dct)": [[1704, "term-RELAX_GUESS_ORBITALS-DCT", true]], "relaxed (occ)": [[1704, "term-RELAXED-OCC", true]], "remove() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.remove", false]], "remove_symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.remove_symmetry", false]], "remp2 correlation energy": [[1776, "psivar-REMP2-CORRELATION-ENERGY", false]], "remp2 doubles energy": [[1776, "psivar-REMP2-DOUBLES-ENERGY", false]], "remp2 opposite-spin correlation energy": [[1776, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "remp2 same-spin correlation energy": [[1776, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "remp2 singles energy": [[1776, "psivar-REMP2-SINGLES-ENERGY", false]], "remp2 total energy": [[1776, "psivar-REMP2-TOTAL-ENERGY", false]], "remp_a (dfocc)": [[1704, "term-REMP_A-DFOCC", true]], "remp_a (occ)": [[1704, "term-REMP_A-OCC", true]], "reopen_outfile() (in module psi4.core)": [[234, "psi4.core.reopen_outfile", false]], "repl_otf (detci)": [[1704, "term-REPL_OTF-DETCI", true]], "reset_ci_h0block() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.reset_ci_H0block", false]], "reset_occ_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1704, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1767, "index-0", false]], "restart (ccenergy)": [[1704, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1704, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1704, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1704, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1704, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[326, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1704, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1704, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[235, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1704, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1704, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1704, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[128, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1704, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[129, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1704, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1704, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1704, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1704, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[130, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1704, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1704, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1704, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1704, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rotate_columns", false]], "rotate_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.rotate_mcscf_integrals", false]], "rotate_mo_angle (mcscf)": [[1704, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1704, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1704, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1704, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1704, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rows", false]], "rpa": [[1841, "index-0", false]], "rsrfo_alpha_max (optking)": [[1704, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1704, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1704, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1704, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1743, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1759, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1759, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1774, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1704, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1704, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1704, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1704, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.S", false]], "s6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s6", false]], "s8() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s8", false]], "s_cholesky_tolerance (scf)": [[1704, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1704, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1704, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1704, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1704, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1704, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1704, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1704, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1704, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1704, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1704, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1704, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[131, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[134, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[391, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[392, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1704, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1837, "index-0", false], [1837, "index-1", false], [1837, "index-2", false], [1837, "index-3", false], [1837, "index-4", false], [1837, "index-5", false]], "sapt (scf)": [[1704, "term-SAPT-SCF", true]], "sapt alpha": [[1776, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1776, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1776, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1776, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1776, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1776, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1776, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1776, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1776, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1776, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1776, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1776, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1776, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1776, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1776, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1776, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1776, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1776, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1776, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1776, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1776, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1776, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1776, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1776, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1776, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1776, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1776, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1776, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1776, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1776, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1776, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1776, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1776, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1776, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1776, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1776, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1776, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1776, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1776, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1776, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1776, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1776, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1776, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1776, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1776, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1776, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1776, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1776, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1776, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[237, "psi4.core.sapt", false]], "sapt(dft)": [[1837, "index-2", false]], "sapt0": [[1837, "index-1", false]], "sapt0 disp energy": [[1776, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1776, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1776, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1776, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1776, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1704, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1704, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1704, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1776, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1776, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1776, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1776, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1776, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1776, "psivar-1", false]], "sapt2+ elst energy": [[1776, "psivar-2", false]], "sapt2+ exch energy": [[1776, "psivar-3", false]], "sapt2+ ind energy": [[1776, "psivar-4", false]], "sapt2+ total energy": [[1776, "psivar-9", false]], "sapt2+(3) disp energy": [[1776, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1776, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1776, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1776, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1776, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1776, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1776, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1776, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1776, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1776, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1776, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1776, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1776, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1776, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1776, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1776, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1776, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1776, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1776, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1776, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1776, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1776, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1776, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1776, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1776, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1776, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1776, "psivar-5", false]], "sapt2+3 elst energy": [[1776, "psivar-6", false]], "sapt2+3 exch energy": [[1776, "psivar-7", false]], "sapt2+3 ind energy": [[1776, "psivar-8", false]], "sapt2+3 total energy": [[1776, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1776, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1776, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1776, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1776, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1776, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1776, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1776, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1776, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1776, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1776, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1776, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1776, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1776, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1776, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1776, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1776, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1776, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1776, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1776, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1776, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1704, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1704, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1704, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1704, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1704, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1704, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1704, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1704, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1704, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1704, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1704, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1704, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1704, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1704, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1704, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1704, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1704, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[148, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[84, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1704, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1704, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1704, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[135, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[238, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[239, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[148, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[240, "psi4.core.scatter", false]], "scf": [[1838, "index-0", false], [1838, "index-1", false]], "scf dipole": [[1776, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1776, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1776, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1776, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1776, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1776, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1776, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1776, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[393, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1704, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1704, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1704, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1704, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1704, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1704, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1704, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1704, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[84, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[394, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1740, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[276, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[241, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[242, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1704, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.scramble", false]], "scratch files": [[1767, "index-0", false]], "screening (globals)": [[1704, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1776, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1776, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1776, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1776, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1776, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1776, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1776, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1776, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1776, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1776, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1776, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1776, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1776, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1776, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1776, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1776, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1704, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1704, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1704, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1704, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1704, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1704, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1704, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1776, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1776, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1704, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1704, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1704, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1704, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1704, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1704, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1704, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[84, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set", false]], "set() (psi4.core.vector method)": [[148, "psi4.core.Vector.set", false]], "set_aa_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_aa_int_name", false]], "set_ab_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_ab_int_name", false]], "set_active_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_active_fragment", false]], "set_active_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_active_fragments", false]], "set_active_molecule() (in module psi4.core)": [[243, "psi4.core.set_active_molecule", false]], "set_alpha() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_alpha", false]], "set_ansatz() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_ansatz", false]], "set_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_AO_core", false]], "set_array() (psi4.core.options method)": [[114, "psi4.core.Options.set_array", false]], "set_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[244, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_bb_int_name", false]], "set_bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_bibtex", false]], "set_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[114, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_camera", false]], "set_ci_guess() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_ci_guess", false]], "set_citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_citation", false]], "set_citation() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_connectivity", false]], "set_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.set_COSX_grid", false]], "set_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[92, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[245, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_define", false]], "set_delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.set_delta", false]], "set_density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_density_tolerance", false]], "set_deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.set_deriv", false]], "set_deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_deriv", false]], "set_deriv_density_backtransformed() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_deriv_density_backtransformed", false]], "set_description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_description", false]], "set_description() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[114, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[84, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[246, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[247, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_hessian", false]], "set_ignore_reference() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_ignore_reference", false]], "set_input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[114, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[248, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[249, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[395, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.set_memory", false]], "set_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_memory", false]], "set_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[92, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[250, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta_cutoff", false]], "set_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_method", false]], "set_method() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_method", false]], "set_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_MO_core", false]], "set_module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[396, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_multiplicity", false]], "set_name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_name", false]], "set_name() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_nfragments", false]], "set_nthreads() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_nthreads", false]], "set_nuclear_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[251, "psi4.core.set_num_threads", false]], "set_nvec() (psi4.core.civector method)": [[12, "psi4.core.CIVector.set_nvec", false]], "set_omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[397, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_options", false]], "set_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_orbitals", false]], "set_orbitals() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1768, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[252, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_parameter", false]], "set_params() (psi4.core.correlationfactor method)": [[19, "psi4.core.CorrelationFactor.set_params", false]], "set_pid() (psi4.core.io method)": [[86, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[92, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[253, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[254, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_scalar_variable", false]], "set_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_schwarz_cutoff", false]], "set_size() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[114, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[114, "psi4.core.Options.set_str_i", false]], "set_subalgo() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_subalgo", false]], "set_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tpdm_already_presorted", false]], "set_tpdm_presorted() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_tpdm_presorted", false]], "set_tweak() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[255, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.setName", false]], "setting": [[1740, "index-0", false], [1752, "index-0", false], [1761, "index-0", false], [1766, "index-0", false], [1772, "index-0", false], [1794, "index-1", false], [1800, "index-0", false], [1826, "index-0", false], [1832, "index-2", false], [1833, "index-2", false]], "setting keywords": [[1798, "index-2", false], [1798, "index-3", false], [1798, "index-4", false], [1798, "index-5", false], [1798, "index-6", false]], "sf_restrict (detci)": [[1704, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[148, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[86, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[87, "psi4.core.IOManager.shared_object", false]], "shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell", false]], "shell_extents() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.shell_extents", false]], "shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_on_center", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.shell_significant", false]], "shell_to_ao_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_ao_function", false]], "shell_to_basis_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_basis_function", false]], "shell_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_center", false]], "shellinfo (class in psi4.core)": [[136, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.shells_iterator", false]], "shells_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.shells_local_to_global", false]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1740, "psi4.driver.aliases.sherrill_gold_standard", false]], "shift() (psi4.core.civector method)": [[12, "psi4.core.CIVector.shift", false]], "sigma() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.sigma", false]], "sigma_overlap (detci)": [[1704, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1839, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1766, "index-0", false]], "singles_print (cceom)": [[1704, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[137, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1704, "term-SMALL_CUTOFF-PSIMRCC", true]], "snlink_basis_tolerance (scf)": [[1704, "term-SNLINK_BASIS_TOLERANCE-SCF", true]], "snlink_density_tolerance (scf)": [[1704, "term-SNLINK_DENSITY_TOLERANCE-SCF", true]], "snlink_force_cartesian (scf)": [[1704, "term-SNLINK_FORCE_CARTESIAN-SCF", true]], "snlink_gpu_mem (scf)": [[1704, "term-SNLINK_GPU_MEM-SCF", true]], "snlink_grid_batch_size (scf)": [[1704, "term-SNLINK_GRID_BATCH_SIZE-SCF", true]], "snlink_integrator_kernel (scf)": [[1704, "term-SNLINK_INTEGRATOR_KERNEL-SCF", true]], "snlink_ints_tolerance (scf)": [[1704, "term-SNLINK_INTS_TOLERANCE-SCF", true]], "snlink_load_balancer_kernel (scf)": [[1704, "term-SNLINK_LOAD_BALANCER_KERNEL-SCF", true]], "snlink_lwd_kernel (scf)": [[1704, "term-SNLINK_LWD_KERNEL-SCF", true]], "snlink_mol_weights_kernel (scf)": [[1704, "term-SNLINK_MOL_WEIGHTS_KERNEL-SCF", true]], "snlink_pruning_scheme (scf)": [[1704, "term-SNLINK_PRUNING_SCHEME-SCF", true]], "snlink_radial_points (scf)": [[1704, "term-SNLINK_RADIAL_POINTS-SCF", true]], "snlink_radial_scheme (scf)": [[1704, "term-SNLINK_RADIAL_SCHEME-SCF", true]], "snlink_reduction_kernel (scf)": [[1704, "term-SNLINK_REDUCTION_KERNEL-SCF", true]], "snlink_spherical_points (scf)": [[1704, "term-SNLINK_SPHERICAL_POINTS-SCF", true]], "snlink_use_debug_grid (scf)": [[1704, "term-SNLINK_USE_DEBUG_GRID-SCF", true]], "snlink_use_gpu (scf)": [[1704, "term-SNLINK_USE_GPU-SCF", true]], "sns-mp2": [[1806, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[103, 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"psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1704, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1704, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1704, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1704, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1704, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1704, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1704, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1704, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1704, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1704, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1704, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[329, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[133, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1776, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1776, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1776, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1776, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1776, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1776, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1776, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1776, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1704, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1704, "term-SOS_TYPE-OCC", true]], "soscf": [[1838, "index-3", false]], "soscf (scf)": [[1704, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1704, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1704, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1704, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1704, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1704, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[84, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.sotoao", false]], "specification": [[1833, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1755, "index-3", false]], "spin_scale_type (occ)": [[1704, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1704, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1704, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1704, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1704, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1704, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1776, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1776, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1776, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1776, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1776, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1704, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1704, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1704, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1704, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1704, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1704, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1704, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1704, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1704, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[86, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1704, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.SubBlocks", false]], "subdegen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subdegen", false]], "subgroup() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subgroup", false]], "subn() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subn", false]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1768, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1704, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[138, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1704, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1833, "index-2", false], [1833, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[139, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1704, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1704, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1704, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1704, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1704, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1704, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1704, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1704, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1704, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1704, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1704, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1704, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1704, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1841, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1772, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1794, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1768, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1768, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (h) -> root n (i) excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (in h) -> root n (in i) right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (in h) -> root n (in i) rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", false]], "td-fctl root 0 -> root n electric transition dipole moment (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", false]], "td-fctl root 0 -> root n electric transition dipole moment (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1776, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1776, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1776, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1776, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1776, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1841, "index-0", false]], "tddft": [[1841, "index-0", false]], "tdm (detci)": [[1704, "term-TDM-DETCI", true]], "tdscf": [[1841, "index-0", false], [1841, "index-1", false]], "tdscf() (in module psi4.driver)": [[398, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1704, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1704, "term-TDSCF_GUESS-SCF", true]], "tdscf_maxiter (scf)": [[1704, "term-TDSCF_MAXITER-SCF", true]], "tdscf_print (scf)": [[1704, "term-TDSCF_PRINT-SCF", true]], "tdscf_r_convergence (scf)": [[1704, "term-TDSCF_R_CONVERGENCE-SCF", true]], "tdscf_states (scf)": [[1704, "term-TDSCF_STATES-SCF", true]], "tdscf_tda (scf)": [[1704, "term-TDSCF_TDA-SCF", true]], "tdscf_tdm_print (scf)": [[1704, "term-TDSCF_TDM_PRINT-SCF", true]], "tdscf_triplets (scf)": [[1704, "term-TDSCF_TRIPLETS-SCF", true]], "tdscfconvergenceerror": [[277, "psi4.driver.TDSCFConvergenceError", false]], "test_b (optking)": [[1704, "term-TEST_B-OPTKING", true]], "test_derivative_b (optking)": [[1704, "term-TEST_DERIVATIVE_B-OPTKING", true]], "test_functional() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.test_functional", false]], "test_matrix_dpd_interface() (in module psi4.core)": [[256, "psi4.core.test_matrix_dpd_interface", false]], "testcomparisonerror": [[278, "psi4.driver.TestComparisonError", false]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1776, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", false]], "theory": [[0, "index-2", false], [284, "index-0", false], [1740, "index-1", false], [1741, "index-0", false], [1742, "index-0", false], [1753, "index-0", false], [1755, "index-1", false], [1756, "index-1", false], [1757, "index-0", false], [1763, "index-1", false], [1770, "index-0", false], [1789, "index-1", false], [1798, "index-1", false], [1799, "index-0", false], [1837, "index-0", false], [1838, "index-1", false], [1841, "index-1", false]], "thermal energy": [[1776, "psivar-THERMAL-ENERGY", false]], "thermal energy correction": [[1776, "psivar-THERMAL-ENERGY-CORRECTION", false]], "thermo() (in module psi4.driver.qcdb.vib)": [[390, "psi4.driver.qcdb.vib.thermo", false]], "theta_points (scf)": [[1704, "term-THETA_POINTS-SCF", true]], "thickness (scf)": [[1704, "term-THICKNESS-SCF", true]], "threading": [[1767, "index-6", false], [1767, "index-9", false]], "three_particle (dct)": [[1704, "term-THREE_PARTICLE-DCT", true]], "threecenteroverlapint (class in psi4.core)": [[141, "psi4.core.ThreeCenterOverlapInt", false]], "tikhonow_max (psimrcc)": [[1704, "term-TIKHONOW_MAX-PSIMRCC", true]], "tikhonow_omega (dct)": [[1704, "term-TIKHONOW_OMEGA-DCT", true]], "tikhonow_omega (psimrcc)": [[1704, "term-TIKHONOW_OMEGA-PSIMRCC", true]], "tikhonow_triples (psimrcc)": [[1704, "term-TIKHONOW_TRIPLES-PSIMRCC", true]], "tile_sz (scf)": [[1704, "term-TILE_SZ-SCF", true]], "timer_off() (in module psi4.core)": [[257, "psi4.core.timer_off", false]], "timer_on() (in module psi4.core)": [[258, "psi4.core.timer_on", false]], "tlaplacedenominator (class in psi4.core)": [[140, "psi4.core.TLaplaceDenominator", false]], "to_array() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.to_array", false]], "to_array() (psi4.core.vector method)": [[148, "psi4.core.Vector.to_array", false]], "to_arrays() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_arrays", false]], "to_dict() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_dict", false]], "to_file() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.to_file", false]], "to_schema() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_schema", false]], "to_serial() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.to_serial", false]], "to_serial() (psi4.core.vector method)": [[148, "psi4.core.Vector.to_serial", false]], "to_string() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.to_string", false]], "to_tuple() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.to_tuple", false]], "tocclean() (psi4.core.io method)": [[86, "psi4.core.IO.tocclean", false]], "tocentry_exists() (psi4.core.io method)": [[86, "psi4.core.IO.tocentry_exists", false]], "tocprint() (psi4.core.io method)": [[86, "psi4.core.IO.tocprint", false]], "tocscan() (psi4.core.io method)": [[86, "psi4.core.IO.tocscan", false]], "tocwrite() (psi4.core.io method)": [[86, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1704, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1704, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[142, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transform", false]], "transform() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transform", false]], "transform_ci_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_ci_integrals", false]], "transform_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.transform_mcscf_integrals", false]], "transform_tei() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei", false]], "transform_tei_first_half() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei_first_half", false]], "transform_tei_second_half() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.transform_tei_second_half", false]], "transition state": [[1802, "index-2", false]], "translate() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.translate", false]], "translate_psi4 (cfour)": [[1704, "term-TRANSLATE_PSI4-CFOUR", true]], "transpose() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transpose", false]], "transpose() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transpose", false]], "transpose() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transpose", false]], "transpose_this() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transpose_this", false]], "tree_expansion_order (pe)": [[1704, "term-TREE_EXPANSION_ORDER-PE", true]], "tree_theta (pe)": [[1704, "term-TREE_THETA-PE", true]], "triples_algorithm (psimrcc)": [[1704, "term-TRIPLES_ALGORITHM-PSIMRCC", true]], "triples_diis (psimrcc)": [[1704, "term-TRIPLES_DIIS-PSIMRCC", true]], "triples_iabc_type (dfocc)": [[1704, "term-TRIPLES_IABC_TYPE-DFOCC", true]], "triples_low_memory (fnocc)": [[1704, "term-TRIPLES_LOW_MEMORY-FNOCC", true]], "triplet() (in module psi4.core)": [[259, "psi4.core.triplet", false]], "triplet() (psi4.core.matrix static method)": [[100, "psi4.core.Matrix.triplet", false]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1740, "psi4.driver.driver_cbs.CompositeComputer.trove", false]], "true_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.true_atomic_number", false]], "tstart() (in module psi4.core)": [[260, "psi4.core.tstart", false]], "tstop() (in module psi4.core)": [[261, "psi4.core.tstop", false]], "turn_on_actv 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SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-1-SINGLES-ENERGY", "CEPA(1) SINGLES ENERGY"], [1776, 9, 1, "psivar-CEPA-1-TOTAL-ENERGY", "CEPA(1) TOTAL ENERGY"], [1776, 9, 1, "psivar-CEPA-2-CORRELATION-ENERGY", "CEPA(2) CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-2-DOUBLES-ENERGY", "CEPA(2) DOUBLES ENERGY"], [1776, 9, 1, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", "CEPA(2) OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", "CEPA(2) SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-2-SINGLES-ENERGY", "CEPA(2) SINGLES ENERGY"], [1776, 9, 1, "psivar-CEPA-2-TOTAL-ENERGY", "CEPA(2) TOTAL ENERGY"], [1776, 9, 1, "psivar-CEPA-3-CORRELATION-ENERGY", "CEPA(3) CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-3-DOUBLES-ENERGY", "CEPA(3) DOUBLES ENERGY"], [1776, 9, 1, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", "CEPA(3) OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", "CEPA(3) SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CEPA-3-SINGLES-ENERGY", "CEPA(3) SINGLES ENERGY"], [1776, 9, 1, "psivar-CEPA-3-TOTAL-ENERGY", "CEPA(3) TOTAL ENERGY"], [1776, 9, 1, "psivar-CFOUR-ERROR-CODE", "CFOUR ERROR CODE"], [1776, 9, 1, "psivar-CI-CORRELATION-ENERGY", "CI CORRELATION ENERGY"], [1776, 9, 1, "psivar-CI-DIPOLE", "CI DIPOLE"], [1776, 9, 1, "psivar-CI-QUADRUPOLE", "CI QUADRUPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", "CI ROOT n -&gt; ROOT m DIPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-ROOT-m-QUADRUPOLE", "CI ROOT n -&gt; ROOT m QUADRUPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-CORRELATION-ENERGY", "CI ROOT n CORRELATION ENERGY"], [1776, 9, 1, "psivar-CI-ROOT-n-DIPOLE", "CI ROOT n DIPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-QUADRUPOLE", "CI ROOT n QUADRUPOLE"], [1776, 9, 1, "psivar-CI-ROOT-n-TOTAL-ENERGY", "CI ROOT n TOTAL ENERGY"], [1776, 9, 1, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY", "CI STATE-AVERAGED CORRELATION ENERGY"], [1776, 9, 1, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY", "CI STATE-AVERAGED TOTAL ENERGY"], [1776, 9, 1, "psivar-CI-TOTAL-ENERGY", "CI TOTAL ENERGY"], [1776, 9, 1, "psivar-CISD-CORRELATION-ENERGY", "CISD CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISD-DIPOLE", "CISD DIPOLE"], [1776, 9, 1, "psivar-CISD-DOUBLES-ENERGY", "CISD DOUBLES ENERGY"], [1776, 9, 1, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "CISD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISD-QUADRUPOLE", "CISD QUADRUPOLE"], [1776, 9, 1, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", "CISD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISD-SINGLES-ENERGY", "CISD SINGLES ENERGY"], [1776, 9, 1, "psivar-CISD-TOTAL-ENERGY", "CISD TOTAL ENERGY"], [1776, 9, 1, "psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1776, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1776, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1776, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1776, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1767, 10, 1, "-", "CONDA_PREFIX"], [1776, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1738, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1738, 10, 1, "-", "CRAY_ADD_RPATH"], [1776, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1776, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1776, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1776, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1776, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1776, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1776, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", "CUSTOM SCS-OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", "CUSTOM SCS-OMP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", "CUSTOM SCS-OREMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1776, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1776, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1776, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1776, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1776, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1776, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1776, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1776, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1776, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1776, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1776, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1776, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1776, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1776, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1776, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1776, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1776, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1776, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1776, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1776, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1776, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1776, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1776, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1776, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1776, 9, 1, "-", "ENTHALPY"], [1776, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1776, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1776, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1776, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1776, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1776, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1776, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1776, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1776, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1776, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1776, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1776, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1776, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1776, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1776, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1776, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1776, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1767, 10, 1, "-", "HOST"], [1776, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1776, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1776, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1776, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1776, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1776, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1776, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1738, 10, 1, "-", "MATH_ROOT"], [1776, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1776, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1776, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1776, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1776, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1776, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1776, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1776, 9, 1, "psivar-MBIS-VALENCE-CHARGES", "MBIS VALENCE CHARGES"], [1776, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1776, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1776, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1767, 10, 1, "-", "MKL_NUM_THREADS"], [1738, 10, 1, "-", "MKL_ROOT"], [1750, 10, 1, "-", "MONTAGE"], [1776, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1776, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1776, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1776, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1776, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1776, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1776, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1776, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1776, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1776, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1776, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1776, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1776, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1776, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1776, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1776, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1776, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1776, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1776, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1776, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1776, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1776, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1776, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1767, 10, 1, "-", "OMP_NESTED"], [1767, 10, 1, "-", "OMP_NUM_THREADS"], [1776, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1776, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1776, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1776, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1767, 10, 1, "-", "PATH"], [1776, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1776, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1767, 10, 1, "-", "PSIDATADIR"], [1767, 10, 1, "-", "PSIPATH"], [1767, 10, 1, "-", "PSI_SCRATCH"], [1767, 10, 1, "-", "PYTHONPATH"], [1776, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1776, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1776, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1776, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1776, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1776, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1776, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1776, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1776, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1776, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1776, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1776, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1776, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1776, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1776, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1776, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1776, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1776, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1776, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1776, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1776, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1776, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1776, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1776, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1776, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1776, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1776, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1776, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1776, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1776, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1776, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1776, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1776, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1776, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1776, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1776, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1776, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1776, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1776, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1776, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1776, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1776, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1776, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1776, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1776, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1776, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1776, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1776, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1776, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1776, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1776, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1776, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1776, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1776, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1776, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) OSCILLATOR STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) RIGHT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (IN h) -&gt; ROOT n (IN i) ROTATORY STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) MAGNETIC TRANSITION DIPOLE MOMENT"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) OSCILLATOR STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) RIGHT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) ROTATORY STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (LEN) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ELECTRIC TRANSITION DIPOLE MOMENT (VEL) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], [1776, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL) - h TRANSITION"], [1776, 9, 1, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", "TD-fctl ROOT n (IN h) TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", "TD-fctl ROOT n (h) TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", "TD-fctl ROOT n TOTAL ENERGY"], [1776, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", "TD-fctl ROOT n TOTAL ENERGY - h TRANSITION"], [1776, 9, 1, "psivar-THERMAL-ENERGY", "THERMAL ENERGY"], [1776, 9, 1, "psivar-THERMAL-ENERGY-CORRECTION", "THERMAL ENERGY CORRECTION"], [1776, 9, 1, "psivar-TWO-ELECTRON-ENERGY", "TWO-ELECTRON ENERGY"], [1776, 9, 1, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", "UNCP-CORRECTED 2-BODY INTERACTION ENERGY"], [1750, 10, 1, "-", "VMDPATH"], [1776, 9, 1, "psivar-WIBERG-LOWDIN-INDICES", "WIBERG LOWDIN INDICES"], [1776, 9, 1, "psivar-ZAPTn-CORRELATION-ENERGY", "ZAPTn CORRELATION ENERGY"], [1776, 9, 1, "psivar-ZAPTn-TOTAL-ENERGY", "ZAPTn TOTAL ENERGY"], [1776, 9, 1, "psivar-ZERO-K-ENTHALPY", "ZERO K ENTHALPY"], [1776, 9, 1, "-", "ZPVE"], [1776, 9, 1, "psivar-T-CORRECTION-ENERGY", "[T] CORRECTION ENERGY"], [1776, 9, 1, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", "db_name DATABASE MEAN ABSOLUTE DEVIATION"], [1776, 9, 1, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", "db_name DATABASE MEAN SIGNED DEVIATION"], [1776, 9, 1, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", "db_name DATABASE ROOT-MEAN-SQUARE DEVIATION"], [1776, 9, 1, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", "fctl DISPERSION CORRECTION ENERGY"], [1776, 9, 1, "psivar-mtd-128-POLE", "mtd 128-POLE"], [1776, 9, 1, "psivar-mtd-32-POLE", "mtd 32-POLE"], [1776, 9, 1, "psivar-mtd-64-POLE", "mtd 64-POLE"], [1776, 9, 1, "psivar-mtd-DIPOLE", "mtd DIPOLE"], [1776, 9, 1, "psivar-mtd-HEXADECAPOLE", "mtd HEXADECAPOLE"], [1776, 9, 1, "psivar-mtd-OCTUPOLE", "mtd OCTUPOLE"], [1776, 9, 1, "psivar-mtd-QUADRUPOLE", "mtd QUADRUPOLE"]], "CUSTOM SCS-MP2": [[1776, 9, 1, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "CUSTOM SCS-OMP2": [[1776, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1776, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "MP2": [[1776, 9, 1, "psivar-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1776, 9, 1, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1776, 9, 1, "psivar-MP2.5-SINGLES-ENERGY", "5 SINGLES ENERGY"], [1776, 9, 1, "psivar-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "NBODY (i, j, ..., k)@(a, b, ..": [[1776, 9, 1, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", ", c) TOTAL ENERGY"]], "OMP2": [[1776, 9, 1, "psivar-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1776, 9, 1, "psivar-OMP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1776, 9, 1, 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F. Herbst and M. Scheurer", "Test Suite", "AOShellCombinationsIterator", "AngularMomentumInt", "BSVec", "BasisExtents", "BasisFunctions", "BasisSet", "BlockOPoints", "BoysLocalizer", "CCWavefunction", "CIVector", "CIWavefunction", "CUHF", "CdSalc", "CdSalcList", "CharacterTable", "CompositeJK", "CorrelationFactor", "CorrelationTable", "CubeProperties", "DASUM", "DAXPY", "DCOPY", "DDOT", "DFEP2Wavefunction", "DFHelper", "DFSOMCSCF", "DFTGrid", "DFTensor", "DGBMV", "DGEEV", "DGEMM", "DGEMV", "DGER", "DGETRF", "DGETRI", "DGETRS", "DNRM2", "DPOTRF", "DPOTRI", "DPOTRS", "DROT", "DSBMV", "DSCAL", "DSWAP", "DSYEV", "DSYMM", "DSYMV", "DSYR", "DSYR2", "DSYR2K", "DSYRK", "DSYSV", "DTBMV", "DTBSV", "DTRMM", "DTRMV", "DTRSM", "DTRSV", "Deriv", "DerivCalcType", "DiagonalizeOrder", "Dimension", "DipoleInt", "DirectJK", "DiskSOMCSCF", "Dispersion", "ERI", "ESPPropCalc", "ElectricFieldInt", "ElectrostaticInt", "ExternalPotential", "FCHKWriter", "FDDS_Dispersion", "FISAPT", "FittedSlaterCorrelationFactor", "FittingMetric", "FragmentType", "Functional", "GaussianShell", "GaussianType", "GeometryUnits", "HF", "IDAMAX", "IO", "IOManager", "IntVector", "IntegralFactory", "IntegralTransform", "IrreducibleRepresentation", "JK", "KineticInt", "LS_THC_Computer", "LaplaceDenominator", "LibXCFunctional", "Localizer", "MOSpace", "MOWriter", "Matrix", "MatrixFactory", "MemDFJK", "MintsHelper", "MoldenWriter", "MolecularGrid", "Molecule", "MultipoleInt", "MultipoleSymmetry", "NablaInt", "NumIntHelper", "OEProp", "OneBodyAOInt", "OneBodySOInt", "Options", "OrbitalSpace", "OverlapInt", "PMLocalizer", "PetiteList", "PointFunctions", "PointGroup", "PotentialInt", "PrimitiveType", "Prop", "ProtoIntVector", "ProtoVector", "PsiReturnType", "QuadrupoleInt", "RHF", "RKSFunctions", "ROHF", "SADGuess", "SOBasisSet", "SOMCSCF", "SalcComponent", "SaveType", "ShellInfo", "Slice", "SuperFunctional", "SymmetryOperation", "TLaplaceDenominator", "ThreeCenterOverlapInt", "TracelessQuadrupoleInt", "TwoBodyAOInt", "TwoElectronInt", "UHF", "UKSFunctions", "VBase", "Vector", "Vector3", "Wavefunction", "array_variable", "array_variables", "be_quiet", "benchmark_blas1", "benchmark_blas2", "benchmark_blas3", "benchmark_disk", "benchmark_integrals", "benchmark_math", "ccdensity", "ccenergy", "cceom", "cchbar", "cclambda", "ccresponse", "cctransort", "cctriples", "clean", "clean_options", "clean_timers", "clean_variables", "close_outfile", "dct", "del_array_variable", "del_scalar_variable", "del_variable", "detci", "dfmp2", "dfocc", "dlpno", "dmrg", "doublet", "dpdbuf4", "dpdfile2", "dummy_einsums", "dummy_integratorxx", "fcidump_tei_helper", "finalize", "flush_outfile", "fnocc", "get_active_molecule", "get_array_variable", "get_array_variables", "get_datadir", "get_global_option", "get_global_option_list", "get_local_option", "get_memory", "get_num_threads", "get_option", "get_options", "get_output_file", "get_variable", "get_variables", "get_writer_file_prefix", "git_version", "has_array_variable", "has_global_option_changed", "has_local_option_changed", "has_option_changed", "has_scalar_variable", "has_variable", "initialize", "libint2_solid_harmonics_ordering", "mcscf", "mrcc_generate_input", "mrcc_load_densities", "occ", "option_exists_in_module", "options_to_python", "outfile_name", "plugin", "plugin_close", "plugin_close_all", "plugin_load", "prepare_options_for_module", "print_global_options", "print_options", "print_out", "print_variables", "psi_top_srcdir", "psimrcc", "psio_entry", "reopen_outfile", "revoke_global_option_changed", "revoke_local_option_changed", "sapt", "scalar_variable", "scalar_variables", "scatter", "scfgrad", "scfhess", "set_active_molecule", "set_array_variable", "set_datadir", "set_global_option", "set_global_option_python", "set_local_option", "set_local_option_python", "set_memory_bytes", "set_num_threads", "set_output_file", "set_psi_file_prefix", "set_scalar_variable", "set_variable", "test_matrix_dpd_interface", "timer_off", "timer_on", "triplet", "tstart", "tstop", "variable", "variables", "version", "AtomicComputer", "ConvergenceError", "EmpiricalDispersion", "ManagedMethodError", "MissingMethodError", "OptimizationConvergenceError", "ParsingError", "PastureRequiredError", "PsiException", "QMMM", "QMMMbohr", "SCFConvergenceError", "TDSCFConvergenceError", "TestComparisonError", "UpgradeHelper", "ValidationError", "activate", "banner", "basis_helper", "cbs", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "create_plugin", "cubeprop", "docs_table_link", "dynamic_variable_bind", "energies_from_fcidump", "energy", "fchk", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "freq", "frequencies", "frequency", "gdma", "geometry", "get_memory", "gradient", "hessian", "ipi_broker", "levenshtein", "libint2_configuration", "libint2_print_out", "mdi_run", "message_box", "molden", "molecule_get_attr", "molecule_set_attr", "oeprop", "opt", "optimize", "optimize_geometric", "DIIS", "Gaussian", "InPsight", "Lineshape", "Lorentzian", "OptionState", "OptionsState", "OptionsStateCM", "SolverEngine", "all_casings", "array_to_matrix", "banner", "basis_helper", "block_diagonal_array", "cg_solver", "compare_fchkfiles", "compare_fcidumps", "compare_moldenfiles", "copy_file_from_scratch", "copy_file_to_scratch", "cubeprop", "davidson_solver", "docs_table_link", "drop_duplicates", "energies_from_fcidump", "expand_psivars", "fcidump", "fcidump_from_file", "find_approximate_string_matches", "format_molecule_for_input", "format_options_for_input", "free_atom_volumes", "get_memory", "get_psifile", "getattr_ignorecase", "hamiltonian_solver", "hold_options_state", "import_ignorecase", "kwargs_lower", "levenshtein", "libint2_configuration", "libint2_print_out", "mat2arr", "message_box", "oeprop", "pcm_helper", "plump_qcvar", "prefactor_ecd", "prefactor_opa", "prepare_options_for_modules", "prepare_options_for_set_options", "provenance_stamp", "sanitize_method", "set_memory", "set_module_options", "set_options", "spectrum", "state_to_atomicinput", "pcm_helper", "process_input", "prop", "properties", "compare_vibinfos", "filter_nonvib", "filter_omega_to_real", "harmonic_analysis", "hessian_symmetrize", "print_molden_vibs", "print_vibs", "thermo", "sanitize_method", "sanitize_name", "scf_helper", "scf_wavefunction_factory", "set_memory", "set_module_options", "set_options", "tdscf", "vibanal_wfn", "Appendices", "<span class=\"xref std std-term\">CUTOFF_AMPS_PRINT</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">KIND</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">NUM_GUESSES</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">OPDM_ONLY</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITE_NOS</span>", "<span class=\"xref std std-term\">XI</span>", "<span class=\"xref std std-term\">XI_CONNECT</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">BCCD_MAXITER</span>", "<span class=\"xref std std-term\">BRUECKNER_ORBS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CC_OS_SCALE</span>", "<span class=\"xref std std-term\">CC_SS_SCALE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FORCE_RESTART</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_AMPS_PRINT</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PAIR_ENERGIES_PRINT</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">SCSN_MP2</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">T2_COUPLED</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CACHETYPE</span>", "<span class=\"xref std std-term\">CC3_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST</span>", "<span class=\"xref std std-term\">COLLAPSE_WITH_LAST_CC3</span>", "<span class=\"xref std std-term\">COMPLEX_TOLERANCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EOM_GUESS</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">EXCITATION_RANGE</span>", "<span class=\"xref std std-term\">FULL_MATRIX</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_DO_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PRECONDITIONER</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NEW_TRIPLES</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OVERLAP_CHECK</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART_EOM_CC3</span>", "<span class=\"xref std std-term\">RHF_TRIPLETS</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SCHMIDT_ADD_RESIDUAL_TOLERANCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">SINGLES_PRINT</span>", "<span class=\"xref std std-term\">SS_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SS_SKIP_DIAG</span>", "<span class=\"xref std std-term\">SS_VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">T3_WS_INCORE</span>", "<span class=\"xref std std-term\">VECS_CC3</span>", "<span class=\"xref std std-term\">VECS_PER_ROOT</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">EOM_REFERENCE</span>", "<span class=\"xref std std-term\">T_AMPS</span>", "<span class=\"xref std std-term\">WABEI_LOWDISK</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">JOBTYPE</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">PROP_ALL</span>", "<span class=\"xref std std-term\">PROP_ROOT</span>", "<span class=\"xref std std-term\">PROP_SYM</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">ZETA</span>", "<span class=\"xref std std-term\">ABCD</span>", "<span class=\"xref std std-term\">ANALYZE</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">GAUGE</span>", "<span class=\"xref std std-term\">LINEAR</span>", "<span class=\"xref std std-term\">LOCAL</span>", "<span class=\"xref std std-term\">LOCAL_CPHF_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_CUTOFF</span>", "<span class=\"xref std std-term\">LOCAL_FILTER_SINGLES</span>", "<span class=\"xref std std-term\">LOCAL_METHOD</span>", "<span class=\"xref std std-term\">LOCAL_PAIRDEF</span>", "<span class=\"xref std std-term\">LOCAL_WEAKP</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">OMEGA</span>", "<span class=\"xref std std-term\">PROPERTY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">SEKINO</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DELETE_TEI</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RUN_CCTRANSORT</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">SEMICANONICAL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">CFOUR_ABCDTYPE</span>", "<span class=\"xref std std-term\">CFOUR_ACTIVE_ORBI</span>", "<span class=\"xref std std-term\">CFOUR_ANH_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_ANH_DERIVATIVES</span>", "<span class=\"xref std std-term\">CFOUR_ANH_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_ANH_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_ANHARMONIC</span>", "<span class=\"xref std std-term\">CFOUR_AO_LADDERS</span>", "<span class=\"xref std std-term\">CFOUR_AV_SCF</span>", "<span class=\"xref std std-term\">CFOUR_BASIS</span>", "<span class=\"xref std std-term\">CFOUR_BRUCK_CONV</span>", "<span class=\"xref std std-term\">CFOUR_BRUECKNER</span>", "<span class=\"xref std std-term\">CFOUR_CACHE_RECS</span>", "<span class=\"xref std std-term\">CFOUR_CALC_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_CC_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_CC_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_CC_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CC_PROGRAM</span>", "<span class=\"xref std std-term\">CFOUR_CHARGE</span>", "<span class=\"xref std std-term\">CFOUR_CIS_CONV</span>", "<span class=\"xref std std-term\">CFOUR_CONTINUUM</span>", "<span class=\"xref std std-term\">CFOUR_CONTRACTION</span>", "<span class=\"xref std std-term\">CFOUR_CONVERGENCE</span>", "<span class=\"xref std std-term\">CFOUR_COORDINATES</span>", "<span class=\"xref std std-term\">CFOUR_CORE_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_CONVER</span>", "<span class=\"xref std std-term\">CFOUR_CPHF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_CURVILINEAR</span>", "<span class=\"xref std std-term\">CFOUR_DBOC</span>", "<span class=\"xref std std-term\">CFOUR_DCT</span>", "<span class=\"xref std std-term\">CFOUR_DERIV_LEVEL</span>", "<span class=\"xref std std-term\">CFOUR_DIFF_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_DROPMO</span>", "<span class=\"xref std std-term\">CFOUR_ECP</span>", "<span class=\"xref std std-term\">CFOUR_EIGENVECTOR</span>", "<span class=\"xref std std-term\">CFOUR_EL_ANHARM</span>", "<span class=\"xref std std-term\">CFOUR_EOM_NONIT</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_CONV</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_PROP</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_SYM</span>", "<span class=\"xref std std-term\">CFOUR_ESTATE_TRANS</span>", "<span class=\"xref std std-term\">CFOUR_EVAL_HESS</span>", "<span class=\"xref std std-term\">CFOUR_EXCITATION</span>", "<span class=\"xref std std-term\">CFOUR_EXCITE</span>", "<span class=\"xref std std-term\">CFOUR_FC_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_FD_CALCTYPE</span>", "<span class=\"xref std std-term\">CFOUR_FD_IRREPS</span>", "<span class=\"xref std std-term\">CFOUR_FD_PROJECT</span>", "<span class=\"xref std std-term\">CFOUR_FD_STEPSIZE</span>", "<span class=\"xref std std-term\">CFOUR_FD_USEGROUP</span>", "<span class=\"xref std std-term\">CFOUR_FILE_RECSIZ</span>", "<span class=\"xref std std-term\">CFOUR_FILE_STRIPE</span>", "<span class=\"xref std std-term\">CFOUR_FINITE_PERTURBATION</span>", "<span class=\"xref std std-term\">CFOUR_FOCK</span>", "<span class=\"xref std std-term\">CFOUR_FREQ_ALGORITHM</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_CORE</span>", "<span class=\"xref std std-term\">CFOUR_FROZEN_VIRT</span>", "<span class=\"xref std std-term\">CFOUR_GAMMA_ABCD</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_1</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_2</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_3</span>", "<span class=\"xref std std-term\">CFOUR_GENBAS_4</span>", "<span class=\"xref std std-term\">CFOUR_GEO_CONV</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_GEO_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_GEO_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_GIAO</span>", "<span class=\"xref std std-term\">CFOUR_GRID</span>", "<span class=\"xref std std-term\">CFOUR_GUESS</span>", "<span class=\"xref std std-term\">CFOUR_HBAR</span>", "<span class=\"xref std std-term\">CFOUR_HFSTABILITY</span>", "<span class=\"xref std std-term\">CFOUR_INCORE</span>", "<span class=\"xref std std-term\">CFOUR_INPUT_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_INTEGRALS</span>", "<span class=\"xref std std-term\">CFOUR_JODA_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_CONV</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_MAXCY</span>", "<span class=\"xref std std-term\">CFOUR_LINEQ_TYPE</span>", "<span class=\"xref std std-term\">CFOUR_LOCK_ORBOCC</span>", "<span class=\"xref std std-term\">CFOUR_MAXSTEP</span>", "<span class=\"xref std std-term\">CFOUR_MEM_UNIT</span>", "<span class=\"xref std std-term\">CFOUR_MEMORY_SIZE</span>", "<span class=\"xref std std-term\">CFOUR_METHOD</span>", "<span class=\"xref std std-term\">CFOUR_MRCC</span>", "<span class=\"xref std std-term\">CFOUR_MULTIPLICITY</span>", "<span class=\"xref std std-term\">CFOUR_NACOUPLING</span>", "<span class=\"xref std std-term\">CFOUR_NEGEVAL</span>", "<span class=\"xref std std-term\">CFOUR_NEWNORM</span>", "<span class=\"xref std std-term\">CFOUR_NONHF</span>", "<span class=\"xref std std-term\">CFOUR_NTOP_TAMP</span>", "<span class=\"xref std std-term\">CFOUR_OCCUPATION</span>", "<span class=\"xref std std-term\">CFOUR_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">CFOUR_OPEN-SHELL</span>", "<span class=\"xref std std-term\">CFOUR_OPT_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_ORBITALS</span>", "<span class=\"xref std std-term\">CFOUR_PERT_ORB</span>", "<span class=\"xref std std-term\">CFOUR_POINTS</span>", "<span class=\"xref std std-term\">CFOUR_PRINT</span>", "<span class=\"xref std std-term\">CFOUR_PROP_INTEGRAL</span>", "<span class=\"xref std std-term\">CFOUR_PROPS</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_GENERAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHF_ORBITAL</span>", "<span class=\"xref std std-term\">CFOUR_QRHFGUES</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_INT</span>", "<span class=\"xref std std-term\">CFOUR_RAMAN_ORB</span>", "<span class=\"xref std std-term\">CFOUR_RDO</span>", "<span class=\"xref std std-term\">CFOUR_REFERENCE</span>", "<span class=\"xref std std-term\">CFOUR_RELATIVISTIC</span>", "<span class=\"xref std std-term\">CFOUR_RELAX_DENS</span>", "<span class=\"xref std std-term\">CFOUR_RES_RAMAN</span>", "<span class=\"xref std std-term\">CFOUR_RESTART_CC</span>", "<span class=\"xref std std-term\">CFOUR_ROT_EVEC</span>", "<span class=\"xref std std-term\">CFOUR_SAVE_INTS</span>", "<span class=\"xref std std-term\">CFOUR_SCALE_ON</span>", "<span class=\"xref std std-term\">CFOUR_SCF_CONV</span>", "<span class=\"xref std std-term\">CFOUR_SCF_DAMPING</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPORDER</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXPSTART</span>", "<span class=\"xref std std-term\">CFOUR_SCF_EXTRAPOLATION</span>", "<span class=\"xref std std-term\">CFOUR_SCF_MAXCYC</span>", "<span class=\"xref std std-term\">CFOUR_SD_FIELD</span>", "<span class=\"xref std std-term\">CFOUR_SPHERICAL</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_FLIP</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_ORBIT</span>", "<span class=\"xref std std-term\">CFOUR_SPIN_SCAL</span>", "<span class=\"xref std std-term\">CFOUR_SPINROTATION</span>", "<span class=\"xref std std-term\">CFOUR_SUBGROUP</span>", "<span class=\"xref std std-term\">CFOUR_SYM_CHECK</span>", "<span class=\"xref std std-term\">CFOUR_SYMMETRY</span>", "<span class=\"xref std std-term\">CFOUR_T3_EXTRAPOL</span>", "<span class=\"xref std std-term\">CFOUR_TAMP_SUM</span>", "<span class=\"xref std std-term\">CFOUR_THERMOCHEMISTRY</span>", "<span class=\"xref std std-term\">CFOUR_TRANS_INV</span>", "<span class=\"xref std std-term\">CFOUR_TREAT_PERT</span>", "<span class=\"xref std std-term\">CFOUR_UIJ_THRESHOLD</span>", "<span class=\"xref std std-term\">CFOUR_UNITS</span>", "<span class=\"xref std std-term\">CFOUR_UPDATE_HESSIAN</span>", "<span class=\"xref std std-term\">CFOUR_VIBRATION</span>", "<span class=\"xref std std-term\">CFOUR_VTRAN</span>", "<span class=\"xref std std-term\">CFOUR_XFIELD</span>", "<span class=\"xref std std-term\">CFOUR_XFORM_TOL</span>", "<span class=\"xref std std-term\">CFOUR_YFIELD</span>", "<span class=\"xref std std-term\">CFOUR_ZFIELD</span>", "<span class=\"xref std std-term\">TRANSLATE_PSI4</span>", "<span class=\"xref std std-term\">CPHF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">CPHF_TASKS</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">EXPLICIT_HAMILTONIAN</span>", "<span class=\"xref std std-term\">MODULE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_PRECONDITION</span>", "<span class=\"xref std std-term\">ALGORITHM</span>", "<span class=\"xref std std-term\">AO_BASIS</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DCT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">DCT_GUESS</span>", "<span class=\"xref std std-term\">DCT_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_DCT</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">ENERGY_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">GUESS_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">ODC_GUESS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">ORBITAL_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">QC_COUPLING</span>", "<span class=\"xref std std-term\">QC_TYPE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">RELAX_GUESS_ORBITALS</span>", "<span class=\"xref std std-term\">RESPONSE_ALGORITHM</span>", "<span class=\"xref std std-term\">STABILITY_ADD_VECTORS</span>", "<span class=\"xref std std-term\">STABILITY_AUGMENT_SPACE_TOL</span>", "<span class=\"xref std std-term\">STABILITY_CHECK</span>", "<span class=\"xref std std-term\">STABILITY_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_MAX_SPACE_SIZE</span>", "<span class=\"xref std std-term\">STABILITY_N_EIGENVALUES</span>", "<span class=\"xref std std-term\">STABILITY_N_GUESS_VECTORS</span>", "<span class=\"xref std std-term\">THREE_PARTICLE</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">DDX_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DDX_ETA</span>", "<span class=\"xref std std-term\">DDX_FMM</span>", "<span class=\"xref std std-term\">DDX_FMM_LOCAL_LMAX</span>", "<span class=\"xref std std-term\">DDX_FMM_MULTIPOLE_LMAX</span>", "<span class=\"xref std std-term\">DDX_INCORE</span>", "<span class=\"xref std std-term\">DDX_LMAX</span>", "<span class=\"xref std std-term\">DDX_LOGFILE</span>", "<span class=\"xref std std-term\">DDX_MAXITER</span>", "<span class=\"xref std std-term\">DDX_MODEL</span>", "<span class=\"xref std std-term\">DDX_N_LEBEDEV</span>", "<span class=\"xref std std-term\">DDX_RADII</span>", "<span class=\"xref std std-term\">DDX_RADII_SCALING</span>", "<span class=\"xref std std-term\">DDX_RADII_SET</span>", "<span class=\"xref std std-term\">DDX_SHIFT</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLUTE_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DDX_SOLVATION_CONVERGENCE</span>", "<span class=\"xref std std-term\">DDX_SOLVENT</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_EPSILON_OPTICAL</span>", "<span class=\"xref std std-term\">DDX_SOLVENT_KAPPA</span>", "<span class=\"xref std std-term\">A_RAS3_MAX</span>", "<span class=\"xref std std-term\">AVG_STATES</span>", "<span class=\"xref std std-term\">AVG_WEIGHTS</span>", "<span class=\"xref std std-term\">B_RAS3_MAX</span>", "<span class=\"xref std std-term\">BENDAZZOLI</span>", "<span class=\"xref std std-term\">CALC_S_SQUARED</span>", "<span class=\"xref std std-term\">CC</span>", "<span class=\"xref std std-term\">CC_A_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_B_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL</span>", "<span class=\"xref std std-term\">CC_FIX_EXTERNAL_MIN</span>", "<span class=\"xref std std-term\">CC_MACRO</span>", "<span class=\"xref std std-term\">CC_MIXED</span>", "<span class=\"xref std std-term\">CC_RAS34_MAX</span>", "<span class=\"xref std std-term\">CC_RAS3_MAX</span>", "<span class=\"xref std std-term\">CC_RAS4_MAX</span>", "<span class=\"xref std std-term\">CC_UPDATE_EPS</span>", "<span class=\"xref std std-term\">CC_VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">CC_VARIATIONAL</span>", "<span class=\"xref std std-term\">CC_VECS_READ</span>", "<span class=\"xref std std-term\">CC_VECS_WRITE</span>", "<span class=\"xref std std-term\">CI_FILE_START</span>", "<span class=\"xref std std-term\">CI_MAXITER</span>", "<span class=\"xref std std-term\">CI_NUM_THREADS</span>", "<span class=\"xref std std-term\">CIBLKS_PRINT</span>", "<span class=\"xref std std-term\">COLLAPSE_SIZE</span>", "<span class=\"xref std std-term\">DETCI_FREEZE_CORE</span>", "<span class=\"xref std std-term\">DF_BASIS_MCSCF</span>", "<span class=\"xref std std-term\">DIAG_METHOD</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_FREQ</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_START_ITER</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EX_ALLOW</span>", "<span class=\"xref std std-term\">EX_LEVEL</span>", "<span class=\"xref std std-term\">FCI</span>", "<span class=\"xref std std-term\">FCI_STRINGS</span>", "<span class=\"xref std std-term\">FILTER_GUESS</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET1</span>", "<span class=\"xref std std-term\">FILTER_GUESS_DET2</span>", "<span class=\"xref std std-term\">FILTER_GUESS_SIGN</span>", "<span class=\"xref std std-term\">FILTER_ZERO_DET</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FOLLOW_VECTOR</span>", "<span class=\"xref std std-term\">GUESS_VECTOR</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING</span>", "<span class=\"xref std std-term\">H0_BLOCK_COUPLING_SIZE</span>", "<span class=\"xref std std-term\">H0_BLOCKSIZE</span>", "<span class=\"xref std std-term\">H0_GUESS_SIZE</span>", "<span class=\"xref std std-term\">HD_AVG</span>", "<span class=\"xref std std-term\">HD_OTF</span>", "<span class=\"xref std std-term\">ICORE</span>", "<span class=\"xref std std-term\">ISTOP</span>", "<span class=\"xref std std-term\">LSE</span>", "<span class=\"xref std std-term\">LSE_COLLAPSE</span>", "<span class=\"xref std std-term\">LSE_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_NUM_VECS</span>", "<span class=\"xref std std-term\">MCSCF_ALGORITHM</span>", "<span class=\"xref std std-term\">MCSCF_CI_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_ERROR_TYPE</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_FREQ</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">MCSCF_DIIS_START</span>", "<span class=\"xref std std-term\">MCSCF_DPD_CLEANUP</span>", "<span class=\"xref std std-term\">MCSCF_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_GUESS</span>", "<span class=\"xref std std-term\">MCSCF_MAX_ROT</span>", "<span class=\"xref std std-term\">MCSCF_MAXITER</span>", "<span class=\"xref std std-term\">MCSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">MCSCF_ROTATE</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_E</span>", "<span class=\"xref std std-term\">MCSCF_SO_START_GRAD</span>", "<span class=\"xref std std-term\">MCSCF_TYPE</span>", "<span class=\"xref std std-term\">MIXED</span>", "<span class=\"xref std std-term\">MIXED4</span>", "<span class=\"xref std std-term\">MPN</span>", "<span class=\"xref std std-term\">MPN_ORDER_SAVE</span>", "<span class=\"xref std std-term\">MPN_SCHMIDT</span>", "<span class=\"xref std std-term\">MPN_WIGNER</span>", "<span class=\"xref std std-term\">MS0</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">NO_DFILE</span>", "<span class=\"xref std std-term\">NUM_AMPS_PRINT</span>", "<span class=\"xref std std-term\">NUM_DETS_PRINT</span>", "<span class=\"xref std std-term\">NUM_INIT_VECS</span>", "<span class=\"xref std std-term\">NUM_ROOTS</span>", "<span class=\"xref std std-term\">OPDM</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PRECONDITIONER</span>", "<span class=\"xref std std-term\">R4S</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RAS34_MAX</span>", "<span class=\"xref std std-term\">RAS3_MAX</span>", "<span class=\"xref std std-term\">RAS4_MAX</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">REFERENCE_SYM</span>", "<span class=\"xref std std-term\">REPL_OTF</span>", "<span class=\"xref std std-term\">RESTART</span>", "<span class=\"xref std std-term\">S</span>", "<span class=\"xref std std-term\">SF_RESTRICT</span>", "<span class=\"xref std std-term\">SIGMA_OVERLAP</span>", "<span class=\"xref std std-term\">TDM</span>", "<span class=\"xref std std-term\">TPDM</span>", "<span class=\"xref std std-term\">UPDATE</span>", "<span class=\"xref std std-term\">VAL_EX_LEVEL</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">DF_BASIS_EP2</span>", "<span class=\"xref std std-term\">EP2_CONVERGENCE</span>", "<span class=\"xref std std-term\">EP2_MAXITER</span>", "<span class=\"xref std std-term\">EP2_NUM_EA</span>", "<span class=\"xref std std-term\">EP2_NUM_IP</span>", "<span class=\"xref std std-term\">EP2_ORBITALS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DFMP2_MEM_FACTOR</span>", "<span class=\"xref std std-term\">DFMP2_P2_TOLERANCE</span>", "<span class=\"xref std std-term\">DFMP2_P_TOLERANCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MADMP2_SLEEP</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">ONEPDM</span>", "<span class=\"xref std std-term\">OPDM_RELAX</span>", "<span class=\"xref std std-term\">CC_DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">CC_DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">CC_LAMBDA</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CHOLESKY</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUT_S2</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">HESS_TYPE</span>", "<span class=\"xref std std-term\">INTEGRAL_CUTOFF</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LINEQ_SOLVER</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_DIIS_NUM_VECS</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MP2_AMP_TYPE</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OO_SCALE</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">PPL_TYPE</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">READ_SCF_3INDEX</span>", "<span class=\"xref std std-term\">REG_PARAM</span>", "<span class=\"xref std std-term\">REGULARIZATION</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">TRIPLES_IABC_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_MP2</span>", "<span class=\"xref std std-term\">DLPNO_ALGORITHM</span>", "<span class=\"xref std std-term\">DLPNO_LOCAL_ORBITALS</span>", "<span class=\"xref std std-term\">DLPNO_MAXITER</span>", "<span class=\"xref std std-term\">DOI_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DOI_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DOI_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DOI_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">F_CUT</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">PNO_CONVERGENCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">S_CUT</span>", "<span class=\"xref std std-term\">T_CUT_CLMO</span>", "<span class=\"xref std std-term\">T_CUT_CPAO</span>", "<span class=\"xref std std-term\">T_CUT_DO</span>", "<span class=\"xref std std-term\">T_CUT_DO_IJ</span>", "<span class=\"xref std std-term\">T_CUT_DO_PRE</span>", "<span class=\"xref std std-term\">T_CUT_MKN</span>", "<span class=\"xref std std-term\">T_CUT_PNO</span>", "<span class=\"xref std std-term\">T_CUT_PRE</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_CALC</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IMAG</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_IPEA</span>", "<span class=\"xref std std-term\">DMRG_CASPT2_ORBS</span>", "<span class=\"xref std std-term\">DMRG_DIIS</span>", "<span class=\"xref std std-term\">DMRG_DIIS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_EXCITATION</span>", "<span class=\"xref std std-term\">DMRG_IRREP</span>", "<span class=\"xref std std-term\">DMRG_LOCAL_INIT</span>", "<span class=\"xref std std-term\">DMRG_MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MPS_WRITE</span>", "<span class=\"xref std std-term\">DMRG_MULTIPLICITY</span>", "<span class=\"xref std std-term\">DMRG_OPDM_AO_PRINT</span>", "<span class=\"xref std std-term\">DMRG_PRINT_CORR</span>", "<span class=\"xref std std-term\">DMRG_SCF_ACTIVE_SPACE</span>", "<span class=\"xref std std-term\">DMRG_SCF_DIIS_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_GRAD_THR</span>", "<span class=\"xref std std-term\">DMRG_SCF_MAX_ITER</span>", "<span class=\"xref std std-term\">DMRG_SCF_STATE_AVG</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_DVDSON_RTOL</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_ENERGY_CONV</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_MAX_SWEEPS</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_NOISE_PREFAC</span>", "<span class=\"xref std std-term\">DMRG_SWEEP_STATES</span>", "<span class=\"xref std std-term\">DMRG_UNITARY_WRITE</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">EFP_DISP</span>", "<span class=\"xref std std-term\">EFP_DISP_DAMPING</span>", "<span class=\"xref std std-term\">EFP_ELST</span>", "<span class=\"xref std std-term\">EFP_ELST_DAMPING</span>", "<span class=\"xref std std-term\">EFP_EXCH</span>", "<span class=\"xref std std-term\">EFP_IND</span>", "<span class=\"xref std std-term\">EFP_IND_DAMPING</span>", "<span class=\"xref std std-term\">EFP_QM_ELST</span>", "<span class=\"xref std std-term\">EFP_QM_IND</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">QMEFP</span>", "<span class=\"xref std std-term\">DISP_SIZE</span>", "<span class=\"xref std std-term\">FD_PROJECT</span>", "<span class=\"xref std std-term\">GRADIENT_WRITE</span>", "<span class=\"xref std std-term\">HESSIAN_WRITE</span>", "<span class=\"xref std std-term\">NORMAL_MODES_WRITE</span>", "<span class=\"xref std std-term\">POINTS</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">FISAPT_CHARGE_COMPLETENESS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_DENSMAT</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIBOS</span>", "<span class=\"xref std std-term\">FISAPT_CUBE_LINKIHOS</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT</span>", "<span class=\"xref std std-term\">FISAPT_DO_FSAPT_DISP</span>", "<span class=\"xref std std-term\">FISAPT_DO_PLOT</span>", "<span class=\"xref std std-term\">FISAPT_EXCH_PARPERP</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_EXCH_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_RESPONSE</span>", "<span class=\"xref std std-term\">FISAPT_FSAPT_IND_SCALE</span>", "<span class=\"xref std std-term\">FISAPT_FSSAPT_FILEPATH</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ASSIGNMENT</span>", "<span class=\"xref std std-term\">FISAPT_LINK_ORTHO</span>", "<span class=\"xref std std-term\">FISAPT_LINK_SELECTION</span>", "<span class=\"xref std std-term\">FISAPT_MANUAL_LINKS</span>", "<span class=\"xref std std-term\">FISAPT_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">FISAPT_PLOT_FILEPATH</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_IBO_CONDITION</span>", "<span class=\"xref std std-term\">LOCAL_IBO_POWER</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_STARS_COMPLETENESS</span>", "<span class=\"xref std std-term\">LOCAL_IBO_USE_STARS</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">LOCAL_USE_GHOSTS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MINAO_BASIS</span>", "<span class=\"xref std std-term\">SSAPT0_SCALE</span>", "<span class=\"xref std std-term\">ACTIVE_NAT_ORBS</span>", "<span class=\"xref std std-term\">BRUECKNER_MAXITER</span>", "<span class=\"xref std std-term\">CC_SCALE_OS</span>", "<span class=\"xref std std-term\">CC_SCALE_SS</span>", "<span class=\"xref std std-term\">CC_TIMINGS</span>", "<span class=\"xref std std-term\">CEPA_LEVEL</span>", "<span class=\"xref std std-term\">CEPA_NO_SINGLES</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COMPUTE_MP4_TRIPLES</span>", "<span class=\"xref std std-term\">COMPUTE_TRIPLES</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DFCC</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIPMOM</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_SCALE_OS</span>", "<span class=\"xref std std-term\">MP2_SCALE_SS</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_PERCENTAGE</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RUN_CCSD</span>", "<span class=\"xref std std-term\">RUN_CEPA</span>", "<span class=\"xref std std-term\">RUN_MP2</span>", "<span class=\"xref std std-term\">RUN_MP3</span>", "<span class=\"xref std std-term\">RUN_MP4</span>", "<span class=\"xref std std-term\">SCS_CCSD</span>", "<span class=\"xref std std-term\">SCS_CEPA</span>", "<span class=\"xref std std-term\">SCS_MP2</span>", "<span class=\"xref std std-term\">TRIPLES_LOW_MEMORY</span>", "<span class=\"xref std std-term\">USE_DF_INTS</span>", "<span class=\"xref std std-term\">GDMA_LIMIT</span>", "<span class=\"xref std std-term\">GDMA_MULTIPOLE_UNITS</span>", "<span class=\"xref std std-term\">GDMA_ORIGIN</span>", "<span class=\"xref std std-term\">GDMA_RADIUS</span>", "<span class=\"xref std std-term\">GDMA_SWITCH</span>", "<span class=\"xref std std-term\">ACTIVE</span>", "<span class=\"xref std std-term\">BASIS_RELATIVISTIC</span>", "<span class=\"xref std std-term\">BENCH</span>", "<span class=\"xref std std-term\">BRIANQC_ENABLE</span>", "<span class=\"xref std std-term\">CC_TYPE</span>", "<span class=\"xref std std-term\">CI_TYPE</span>", "<span class=\"xref std std-term\">CUBEPROP_BASIS_FUNCTIONS</span>", "<span class=\"xref std std-term\">CUBEPROP_FILEPATH</span>", "<span class=\"xref std std-term\">CUBEPROP_ISOCONTOUR_THRESHOLD</span>", "<span class=\"xref std std-term\">CUBEPROP_ORBITALS</span>", "<span class=\"xref std std-term\">CUBEPROP_TASKS</span>", "<span class=\"xref std std-term\">CUBIC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">CUBIC_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">CUBIC_GRID_OVERAGE</span>", "<span class=\"xref std std-term\">CUBIC_GRID_SPACING</span>", "<span class=\"xref std std-term\">DDX</span>", "<span class=\"xref std std-term\">DEBUG</span>", "<span class=\"xref std std-term\">DERTYPE</span>", "<span class=\"xref std std-term\">DF_BASIS_CC</span>", "<span class=\"xref std std-term\">DIE_IF_NOT_CONVERGED</span>", "<span class=\"xref std std-term\">DKH_ORDER</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">EXTERNAL_POTENTIAL_SYMMETRY</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">FREEZE_CORE_POLICY</span>", "<span class=\"xref std std-term\">FROZEN_DOCC</span>", "<span class=\"xref std std-term\">FROZEN_UOCC</span>", "<span class=\"xref std std-term\">INTEGRAL_PACKAGE</span>", "<span class=\"xref std std-term\">LITERAL_CFOUR</span>", "<span class=\"xref std std-term\">LS_THC_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">LS_THC_DF</span>", "<span class=\"xref std std-term\">LS_THC_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">LS_THC_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_S_EPSILON</span>", "<span class=\"xref std std-term\">LS_THC_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">LS_THC_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAT_NUM_COLUMN_PRINT</span>", "<span class=\"xref std std-term\">MAX_RADIAL_MOMENT</span>", "<span class=\"xref std std-term\">MBIS_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">MBIS_MAXITER</span>", "<span class=\"xref std std-term\">MBIS_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">MBIS_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">MBIS_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">MOLDEN_WITH_VIRTUAL</span>", "<span class=\"xref std std-term\">MP2_TYPE</span>", "<span class=\"xref std std-term\">MP_TYPE</span>", "<span class=\"xref std std-term\">NUM_FROZEN_DOCC</span>", "<span class=\"xref std std-term\">NUM_FROZEN_UOCC</span>", "<span class=\"xref std std-term\">PARENT_SYMMETRY</span>", "<span class=\"xref std std-term\">PCM</span>", "<span class=\"xref std std-term\">PE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">PRINT_NOONS</span>", "<span class=\"xref std std-term\">PROPERTIES</span>", "<span class=\"xref std std-term\">PROPERTIES_ORIGIN</span>", "<span class=\"xref std std-term\">PUREAM</span>", "<span class=\"xref std std-term\">QC_MODULE</span>", "<span class=\"xref std std-term\">RAS1</span>", "<span class=\"xref std std-term\">RAS2</span>", "<span class=\"xref std std-term\">RAS3</span>", "<span class=\"xref std std-term\">RAS4</span>", "<span class=\"xref std std-term\">RELATIVISTIC</span>", "<span class=\"xref std std-term\">RESTRICTED_DOCC</span>", "<span class=\"xref std std-term\">RESTRICTED_UOCC</span>", "<span class=\"xref std std-term\">SCF_TYPE</span>", "<span class=\"xref std std-term\">SCREENING</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">WRITER_FILE_LABEL</span>", "<span class=\"xref std std-term\">CANONICALIZE_ACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CANONICALIZE_INACTIVE_FAVG</span>", "<span class=\"xref std std-term\">CI_DIIS</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DOCC</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG</span>", "<span class=\"xref std std-term\">FAVG_START</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">FORCE_TWOCON</span>", "<span class=\"xref std std-term\">INTERNAL_ROTATIONS</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">ROTATE_MO_ANGLE</span>", "<span class=\"xref std std-term\">ROTATE_MO_IRREP</span>", "<span class=\"xref std std-term\">ROTATE_MO_P</span>", "<span class=\"xref std std-term\">ROTATE_MO_Q</span>", "<span class=\"xref std std-term\">SOCC</span>", "<span class=\"xref std std-term\">TURN_ON_ACTV</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">OMEGA_ERF</span>", "ADC", "CCDENSITY", "CCENERGY", "CCEOM", "CCHBAR", "CCLAMBDA", "CCRESPONSE", "CCTRANSORT", "CCTRIPLES", "CFOUR", "CPHF", "DCT", "DDX", "DETCI", "DFEP2", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FINDIF", "FISAPT", "FNOCC", "GDMA", "GLOBALS", "MCSCF", "MINTS", "MRCC", "OCC", "OPTKING", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MRCC_LEVEL</span>", "<span class=\"xref std std-term\">MRCC_METHOD</span>", "<span class=\"xref std std-term\">MRCC_NUM_DOUBLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_SINGLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_NUM_TRIPLET_ROOTS</span>", "<span class=\"xref std std-term\">MRCC_OMP_NUM_THREADS</span>", "<span class=\"xref std std-term\">MRCC_RESTART</span>", "<span class=\"xref std std-term\">CACHELEVEL</span>", "<span class=\"xref std std-term\">CC_MAXITER</span>", "<span class=\"xref std std-term\">CCL_ENERGY</span>", "<span class=\"xref std std-term\">CEPA_OS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SOS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_SS_SCALE</span>", "<span class=\"xref std std-term\">CEPA_TYPE</span>", "<span class=\"xref std std-term\">CUTOFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DO_DIIS</span>", "<span class=\"xref std std-term\">DO_LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">DO_SCS</span>", "<span class=\"xref std std-term\">DO_SOS</span>", "<span class=\"xref std std-term\">E3_SCALE</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EA_POLES</span>", "<span class=\"xref std std-term\">EKT_EA</span>", "<span class=\"xref std std-term\">EKT_IP</span>", "<span class=\"xref std std-term\">EP_EA_POLES</span>", "<span class=\"xref std std-term\">EP_IP_POLES</span>", "<span class=\"xref std std-term\">EP_MAXITER</span>", "<span class=\"xref std std-term\">IP_POLES</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">MAX_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">MO_MAXITER</span>", "<span class=\"xref std std-term\">MO_READ</span>", "<span class=\"xref std std-term\">MO_STEP_MAX</span>", "<span class=\"xref std std-term\">MO_WRITE</span>", "<span class=\"xref std std-term\">MOGRAD_DAMPING</span>", "<span class=\"xref std std-term\">MP2_OS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE</span>", "<span class=\"xref std std-term\">MP2_SOS_SCALE2</span>", "<span class=\"xref std std-term\">MP2_SS_SCALE</span>", "<span class=\"xref std std-term\">NAT_ORBS</span>", "<span class=\"xref std std-term\">OCC_ORBS_PRINT</span>", "<span class=\"xref std std-term\">OEPROP</span>", "<span class=\"xref std std-term\">OPT_METHOD</span>", "<span class=\"xref std std-term\">ORB_OPT</span>", "<span class=\"xref std std-term\">ORB_RESP_SOLVER</span>", "<span class=\"xref std std-term\">ORTH_TYPE</span>", "<span class=\"xref std std-term\">OS_SCALE</span>", "<span class=\"xref std std-term\">PCG_BETA_TYPE</span>", "<span class=\"xref std std-term\">PCG_CONVERGENCE</span>", "<span class=\"xref std std-term\">PCG_MAXITER</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">RELAXED</span>", "<span class=\"xref std std-term\">REMP_A</span>", "<span class=\"xref std std-term\">RMS_MOGRAD_CONVERGENCE</span>", "<span class=\"xref std std-term\">SCS_TYPE</span>", "<span class=\"xref std std-term\">SOS_TYPE</span>", "<span class=\"xref std std-term\">SPIN_SCALE_TYPE</span>", "<span class=\"xref std std-term\">SS_SCALE</span>", "<span class=\"xref std std-term\">SYMMETRIZE</span>", "<span class=\"xref std std-term\">TPDM_ABCD_TYPE</span>", "<span class=\"xref std std-term\">WFN_TYPE</span>", "<span class=\"xref std std-term\">ADD_AUXILIARY_BONDS</span>", "<span class=\"xref std std-term\">AUXILIARY_BOND_FACTOR</span>", "<span class=\"xref std std-term\">CART_HESS_READ</span>", "<span class=\"xref std std-term\">CARTESIAN_SYM_TOLERANCE</span>", "<span class=\"xref std std-term\">CONSECUTIVE_BACKSTEPS</span>", "<span class=\"xref std std-term\">COVALENT_CONNECT</span>", "<span class=\"xref std std-term\">CUSTOM_COORDS</span>", "<span class=\"xref std std-term\">DYNAMIC_LEVEL</span>", "<span class=\"xref std std-term\">ENSURE_BT_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_BEND</span>", "<span class=\"xref std std-term\">EXT_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">EXT_FORCE_DIHEDRAL</span>", "<span class=\"xref std std-term\">EXT_FORCE_DISTANCE</span>", "<span class=\"xref std std-term\">EXT_FORCE_OOFP</span>", "<span class=\"xref std std-term\">FLEXIBLE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">FRAG_MODE</span>", "<span class=\"xref std std-term\">FRAG_REF_ATOMS</span>", "<span class=\"xref std std-term\">FREEZE_ALL_DIHEDRALS</span>", "<span class=\"xref std std-term\">FREEZE_INTERFRAG</span>", "<span class=\"xref std std-term\">FREEZE_INTRAFRAG</span>", "<span class=\"xref std std-term\">FROZEN_BEND</span>", "<span class=\"xref std std-term\">FROZEN_CARTESIAN</span>", "<span class=\"xref std std-term\">FROZEN_DIHEDRAL</span>", "<span class=\"xref std std-term\">FROZEN_DISTANCE</span>", "<span class=\"xref std std-term\">FROZEN_OOFP</span>", "<span class=\"xref std std-term\">FULL_HESS_EVERY</span>", "<span class=\"xref std std-term\">G_CONVERGENCE</span>", "<span class=\"xref std std-term\">GEOM_MAXITER</span>", "<span class=\"xref std std-term\">H_BOND_CONNECT</span>", "<span class=\"xref std std-term\">H_GUESS_EVERY</span>", "<span class=\"xref std std-term\">H_UPDATE_DEN_TOL</span>", "<span class=\"xref std std-term\">HESS_UPDATE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_MAX</span>", "<span class=\"xref std std-term\">HESS_UPDATE_LIMIT_SCALE</span>", "<span class=\"xref std std-term\">HESS_UPDATE_USE_LAST</span>", "<span class=\"xref std std-term\">INTCOS_GENERATE_EXIT</span>", "<span class=\"xref std std-term\">INTERFRAG_COLLINEAR_TOL</span>", "<span class=\"xref std std-term\">INTERFRAG_COORDS</span>", "<span class=\"xref std std-term\">INTERFRAG_DIST_INV</span>", "<span class=\"xref std std-term\">INTERFRAG_HESS</span>", "<span class=\"xref std std-term\">INTERFRAG_MODE</span>", "<span class=\"xref std std-term\">INTERFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTERFRAGMENT_CONNECT</span>", "<span class=\"xref std std-term\">INTRAFRAG_HESS</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MAX</span>", "<span class=\"xref std std-term\">INTRAFRAG_STEP_LIMIT_MIN</span>", "<span class=\"xref std std-term\">IRC_DIRECTION</span>", "<span class=\"xref std std-term\">IRC_POINTS</span>", "<span class=\"xref std std-term\">IRC_STEP_SIZE</span>", "<span class=\"xref std std-term\">MAX_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_ENERGY_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">MAX_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">OPT_COORDINATES</span>", "<span class=\"xref std std-term\">OPT_RESTART</span>", "<span class=\"xref std std-term\">OPT_TYPE</span>", "<span class=\"xref std std-term\">PRINT_OPT_PARAMS</span>", "<span class=\"xref std std-term\">PRINT_TRAJECTORY_XYZ_FILE</span>", "<span class=\"xref std std-term\">RANGED_BEND</span>", "<span class=\"xref std std-term\">RANGED_DIHEDRAL</span>", "<span class=\"xref std std-term\">RANGED_DISTANCE</span>", "<span class=\"xref std std-term\">RANGED_OOFP</span>", "<span class=\"xref std std-term\">RFO_FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">RFO_NORMALIZATION_MAX</span>", "<span class=\"xref std std-term\">RFO_ROOT</span>", "<span class=\"xref std std-term\">RMS_DISP_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RMS_FORCE_G_CONVERGENCE</span>", "<span class=\"xref std std-term\">RSRFO_ALPHA_MAX</span>", "<span class=\"xref std std-term\">SAVE_OPTIMIZATION</span>", "<span class=\"xref std std-term\">STEP_TYPE</span>", "<span class=\"xref std std-term\">TEST_B</span>", "<span class=\"xref std std-term\">TEST_DERIVATIVE_B</span>", "<span class=\"xref std std-term\">UNFREEZE_DIHEDRALS</span>", "<span class=\"xref std std-term\">WRITE_OPT_HISTORY</span>", "<span class=\"xref std std-term\">WRITE_OPT_RESULT</span>", "<span class=\"xref std std-term\">WRITE_TRAJECTORY</span>", "<span class=\"xref std std-term\">PCM_CC_TYPE</span>", "<span class=\"xref std std-term\">PCM_SCF_TYPE</span>", "<span class=\"xref std std-term\">PCMSOLVER_PARSED_FNAME</span>", "<span class=\"xref std std-term\">BORDER</span>", "<span class=\"xref std std-term\">BORDER_N_REDIST</span>", "<span class=\"xref std std-term\">BORDER_REDIST_ORDER</span>", "<span class=\"xref std std-term\">BORDER_REDIST_POL</span>", "<span class=\"xref std std-term\">BORDER_RMIN</span>", "<span class=\"xref std std-term\">BORDER_RMIN_UNIT</span>", "<span class=\"xref std std-term\">BORDER_TYPE</span>", "<span class=\"xref std std-term\">DAMP_INDUCED</span>", "<span class=\"xref std std-term\">DAMP_MULTIPOLE</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_INDUCED</span>", "<span class=\"xref std std-term\">DAMPING_FACTOR_MULTIPOLE</span>", "<span class=\"xref std std-term\">INDUCED_CONVERGENCE</span>", "<span class=\"xref std std-term\">ISOTROPIC_POL</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">PE_ECP</span>", "<span class=\"xref std std-term\">POTFILE</span>", "<span class=\"xref std std-term\">SUMMATION_FIELDS</span>", "<span class=\"xref std std-term\">TREE_EXPANSION_ORDER</span>", "<span class=\"xref std std-term\">TREE_THETA</span>", "<span class=\"xref std std-term\">CC_NUM_THREADS</span>", "<span class=\"xref std std-term\">CORR_ANSATZ</span>", "<span class=\"xref std std-term\">CORR_CCSD_T</span>", "<span class=\"xref std std-term\">CORR_CHARGE</span>", "<span class=\"xref std std-term\">CORR_MULTP</span>", "<span class=\"xref std std-term\">CORR_WFN</span>", "<span class=\"xref std std-term\">COUPLING</span>", "<span class=\"xref std std-term\">COUPLING_TERMS</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">DIAGONALIZE_HEFF</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">FAVG_CCSD_T</span>", "<span class=\"xref std std-term\">FOLLOW_ROOT</span>", "<span class=\"xref std std-term\">HEFF4</span>", "<span class=\"xref std std-term\">HEFF_PRINT</span>", "<span class=\"xref std std-term\">LOCK_SINGLET</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MP2_CCSD_METHOD</span>", "<span class=\"xref std std-term\">MP2_GUESS</span>", "<span class=\"xref std std-term\">NO_SINGLES</span>", "<span class=\"xref std std-term\">OFFDIAGONAL_CCSD_T</span>", "<span class=\"xref std std-term\">PERTURB_CBS</span>", "<span class=\"xref std std-term\">PERTURB_CBS_COUPLING</span>", "<span class=\"xref std std-term\">PT_ENERGY</span>", "<span class=\"xref std std-term\">R_CONVERGENCE</span>", "<span class=\"xref std std-term\">SMALL_CUTOFF</span>", "<span class=\"xref std std-term\">TIKHONOW_MAX</span>", "<span class=\"xref std std-term\">TIKHONOW_OMEGA</span>", "<span class=\"xref std std-term\">TIKHONOW_TRIPLES</span>", "<span class=\"xref std std-term\">TRIPLES_ALGORITHM</span>", "<span class=\"xref std std-term\">TRIPLES_DIIS</span>", "<span class=\"xref std std-term\">USE_SPIN_SYM</span>", "<span class=\"xref std std-term\">USE_SPIN_SYMMETRY</span>", "<span class=\"xref std std-term\">WFN_SYM</span>", "<span class=\"xref std std-term\">ZERO_INTERNAL_AMPS</span>", "<span class=\"xref std std-term\">AIO_CPHF</span>", "<span class=\"xref std std-term\">AIO_DF_INTS</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">CCD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">CCD_MAXITER</span>", "<span class=\"xref std std-term\">CCD_T_CONVERGENCE</span>", "<span class=\"xref std std-term\">COUPLED_INDUCTION</span>", "<span class=\"xref std std-term\">CPHF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">DENOMINATOR_ALGORITHM</span>", "<span class=\"xref std std-term\">DENOMINATOR_DELTA</span>", "<span class=\"xref std std-term\">DF_BASIS_ELST</span>", "<span class=\"xref std std-term\">DF_BASIS_SAPT</span>", "<span class=\"xref std std-term\">DO_CCD_DISP</span>", "<span class=\"xref std std-term\">DO_DISP_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND30_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_IND_EXCH_SINF</span>", "<span class=\"xref std std-term\">DO_MBPT_DISP</span>", "<span class=\"xref std std-term\">DO_THIRD_ORDER</span>", "<span class=\"xref std std-term\">EXCH_SCALE_ALPHA</span>", "<span class=\"xref std std-term\">FREEZE_CORE</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">MAX_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MIN_CCD_DIISVECS</span>", "<span class=\"xref std std-term\">NAT_ORBS_T2</span>", "<span class=\"xref std std-term\">NAT_ORBS_T3</span>", "<span class=\"xref std std-term\">NAT_ORBS_V4</span>", "<span class=\"xref std std-term\">OCC_TOLERANCE</span>", "<span class=\"xref std std-term\">PRINT</span>", "<span class=\"xref std std-term\">SAPT0_E10</span>", "<span class=\"xref std std-term\">SAPT0_E20DISP</span>", "<span class=\"xref std std-term\">SAPT0_E20IND</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_DHF</span>", "<span class=\"xref std std-term\">SAPT_DFT_DO_HYBRID</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_FIXED_SCALE</span>", "<span class=\"xref std std-term\">SAPT_DFT_EXCH_DISP_SCALE_SCHEME</span>", "<span class=\"xref std std-term\">SAPT_DFT_FUNCTIONAL</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_DETERMINATION</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_A</span>", "<span class=\"xref std std-term\">SAPT_DFT_GRAC_SHIFT_B</span>", "<span class=\"xref std std-term\">SAPT_DFT_MP2_DISP_ALG</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_LEG_LAMBDA</span>", "<span class=\"xref std std-term\">SAPT_FDDS_DISP_NUM_POINTS</span>", "<span class=\"xref std std-term\">SAPT_FDDS_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">SAPT_LEVEL</span>", "<span class=\"xref std std-term\">SAPT_MEM_CHECK</span>", "<span class=\"xref std std-term\">SAPT_MEM_FACTOR</span>", "<span class=\"xref std std-term\">SAPT_MEM_SAFETY</span>", "<span class=\"xref std std-term\">SAPT_QUIET</span>", "<span class=\"xref std std-term\">BASIS</span>", "<span class=\"xref std std-term\">BASIS_GUESS</span>", "<span class=\"xref std std-term\">CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">COSX_MAXITER_FINAL</span>", "<span class=\"xref std std-term\">COSX_OVERLAP_FITTING</span>", "<span class=\"xref std std-term\">COSX_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_RADIAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_FINAL</span>", "<span class=\"xref std std-term\">COSX_SPHERICAL_POINTS_INITIAL</span>", "<span class=\"xref std std-term\">D_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_CONVERGENCE</span>", "<span class=\"xref std std-term\">DAMPING_PERCENTAGE</span>", "<span class=\"xref std std-term\">DF_BASIS_GUESS</span>", "<span class=\"xref std std-term\">DF_BASIS_SAD</span>", "<span class=\"xref std std-term\">DF_BASIS_SCF</span>", "<span class=\"xref std std-term\">DF_BUMP_R0</span>", "<span class=\"xref std std-term\">DF_BUMP_R1</span>", "<span class=\"xref std std-term\">DF_DOMAINS</span>", "<span class=\"xref std std-term\">DF_FITTING_CONDITION</span>", "<span class=\"xref std std-term\">DF_INTS_IO</span>", "<span class=\"xref std std-term\">DF_INTS_NUM_THREADS</span>", "<span class=\"xref std std-term\">DF_METRIC</span>", "<span class=\"xref std std-term\">DF_SCF_GUESS</span>", "<span class=\"xref std std-term\">DF_THETA</span>", "<span class=\"xref std std-term\">DFT_ALPHA</span>", "<span class=\"xref std std-term\">DFT_ALPHA_C</span>", "<span class=\"xref std std-term\">DFT_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MAX_RADIUS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_MIN_POINTS</span>", "<span class=\"xref std std-term\">DFT_BLOCK_SCHEME</span>", "<span class=\"xref std std-term\">DFT_BS_RADIUS_ALPHA</span>", "<span class=\"xref std std-term\">DFT_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">DFT_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">DFT_GRAC_ALPHA</span>", "<span class=\"xref std std-term\">DFT_GRAC_BETA</span>", "<span class=\"xref std std-term\">DFT_GRAC_C_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRAC_SHIFT</span>", "<span class=\"xref std std-term\">DFT_GRAC_X_FUNC</span>", "<span class=\"xref std std-term\">DFT_GRID_NAME</span>", "<span class=\"xref std std-term\">DFT_NUCLEAR_SCHEME</span>", "<span class=\"xref std std-term\">DFT_OMEGA</span>", "<span class=\"xref std std-term\">DFT_OMEGA_C</span>", "<span class=\"xref std std-term\">DFT_PRUNING_ALPHA</span>", "<span class=\"xref std std-term\">DFT_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">DFT_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_REMOVE_DISTANT_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_SPHERICAL_SCHEME</span>", "<span class=\"xref std std-term\">DFT_V2_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_B</span>", "<span class=\"xref std std-term\">DFT_VV10_C</span>", "<span class=\"xref std std-term\">DFT_VV10_POSTSCF</span>", "<span class=\"xref std std-term\">DFT_VV10_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_VV10_RHO_CUTOFF</span>", "<span class=\"xref std std-term\">DFT_VV10_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">DFT_WEIGHTS_TOLERANCE</span>", "<span class=\"xref std std-term\">DIIS</span>", "<span class=\"xref std std-term\">DIIS_MAX_VECS</span>", "<span class=\"xref std std-term\">DIIS_MIN_VECS</span>", "<span class=\"xref std std-term\">DIIS_RMS_ERROR</span>", "<span class=\"xref std std-term\">DIIS_START</span>", "<span class=\"xref std std-term\">DISTRIBUTED_MATRIX</span>", "<span class=\"xref std std-term\">E_CONVERGENCE</span>", "<span class=\"xref std std-term\">EXTERN</span>", "<span class=\"xref std std-term\">FAIL_ON_MAXITER</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_INCREMENT</span>", "<span class=\"xref std std-term\">FOLLOW_STEP_SCALE</span>", "<span class=\"xref std std-term\">FRAC_DIIS</span>", "<span class=\"xref std std-term\">FRAC_LOAD</span>", "<span class=\"xref std std-term\">FRAC_OCC</span>", "<span class=\"xref std std-term\">FRAC_RENORMALIZE</span>", "<span class=\"xref std std-term\">FRAC_START</span>", "<span class=\"xref std std-term\">FRAC_VAL</span>", "<span class=\"xref std std-term\">GUESS</span>", "<span class=\"xref std std-term\">GUESS_MIX</span>", "<span class=\"xref std std-term\">GUESS_PERSIST</span>", "<span class=\"xref std std-term\">INCFOCK</span>", "<span class=\"xref std std-term\">INCFOCK_CONVERGENCE</span>", "<span class=\"xref std std-term\">INCFOCK_FULL_FOCK_EVERY</span>", "<span class=\"xref std std-term\">INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT</span>", "<span class=\"xref std std-term\">LEVEL_SHIFT_CUTOFF</span>", "<span class=\"xref std std-term\">LINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">LOCAL_CONVERGENCE</span>", "<span class=\"xref std std-term\">LOCAL_MAXITER</span>", "<span class=\"xref std std-term\">MAX_ATTEMPTS</span>", "<span class=\"xref std std-term\">MAX_MEM_BUF</span>", "<span class=\"xref std std-term\">MAXITER</span>", "<span class=\"xref std std-term\">MOLDEN_WRITE</span>", "<span class=\"xref std std-term\">MOM_OCC</span>", "<span class=\"xref std std-term\">MOM_START</span>", "<span class=\"xref std std-term\">MOM_VIR</span>", "<span class=\"xref std std-term\">NL_DISPERSION_PARAMETERS</span>", "<span class=\"xref std std-term\">ONEPOT_GRID_READ</span>", "<span class=\"xref std std-term\">ORBITALS_WRITE</span>", "<span class=\"xref std std-term\">PARALLEL</span>", "<span class=\"xref std std-term\">PERTURB_DIPOLE</span>", "<span class=\"xref std std-term\">PERTURB_H</span>", "<span class=\"xref std std-term\">PERTURB_MAGNITUDE</span>", "<span class=\"xref std std-term\">PERTURB_WITH</span>", "<span class=\"xref std std-term\">PHI_POINTS</span>", "<span class=\"xref std std-term\">PK_ALL_NONSYM</span>", "<span class=\"xref std std-term\">PK_MAX_BUCKETS</span>", "<span class=\"xref std std-term\">PRINT_BASIS</span>", "<span class=\"xref std std-term\">PRINT_MOS</span>", "<span class=\"xref std std-term\">PROCESS_GRID</span>", "<span class=\"xref std std-term\">QCHF</span>", "<span class=\"xref std std-term\">R_POINTS</span>", "<span class=\"xref std std-term\">RADIUS</span>", "<span class=\"xref std std-term\">REFERENCE</span>", "<span class=\"xref std std-term\">S_CHOLESKY_TOLERANCE</span>", "<span class=\"xref std std-term\">S_ORTHOGONALIZATION</span>", "<span class=\"xref std std-term\">S_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_CHOL_TOLERANCE</span>", "<span class=\"xref std std-term\">SAD_D_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_E_CONVERGENCE</span>", "<span class=\"xref std std-term\">SAD_FRAC_OCC</span>", "<span class=\"xref std std-term\">SAD_MAXITER</span>", "<span class=\"xref std std-term\">SAD_PRINT</span>", "<span class=\"xref std std-term\">SAD_SCF_TYPE</span>", "<span class=\"xref std std-term\">SAD_SPIN_AVERAGE</span>", "<span class=\"xref std std-term\">SAPGAU_BASIS</span>", "<span class=\"xref std std-term\">SAPT</span>", "<span class=\"xref std std-term\">SAVE_JK</span>", "<span class=\"xref std std-term\">SAVE_UHF_NOS</span>", "<span class=\"xref std std-term\">SCF_INITIAL_ACCELERATOR</span>", "<span class=\"xref std std-term\">SCF_INITIAL_FINISH_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_INITIAL_START_DIIS_TRANSITION</span>", "<span class=\"xref std std-term\">SCF_MEM_SAFETY_FACTOR</span>", "<span class=\"xref std std-term\">SCF_PROPERTIES</span>", "<span class=\"xref std std-term\">SCF_SUBTYPE</span>", "<span class=\"xref std std-term\">SNLINK_BASIS_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_DENSITY_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_FORCE_CARTESIAN</span>", "<span class=\"xref std std-term\">SNLINK_GPU_MEM</span>", "<span class=\"xref std std-term\">SNLINK_GRID_BATCH_SIZE</span>", "<span class=\"xref std std-term\">SNLINK_INTEGRATOR_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_INTS_TOLERANCE</span>", "<span class=\"xref std std-term\">SNLINK_LOAD_BALANCER_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_LWD_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_MOL_WEIGHTS_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_PRUNING_SCHEME</span>", "<span class=\"xref std std-term\">SNLINK_RADIAL_POINTS</span>", "<span class=\"xref std std-term\">SNLINK_RADIAL_SCHEME</span>", "<span class=\"xref std std-term\">SNLINK_REDUCTION_KERNEL</span>", "<span class=\"xref std std-term\">SNLINK_SPHERICAL_POINTS</span>", "<span class=\"xref std std-term\">SNLINK_USE_DEBUG_GRID</span>", "<span class=\"xref std std-term\">SNLINK_USE_GPU</span>", "<span class=\"xref std std-term\">SOLVER_CONVERGENCE</span>", "<span class=\"xref std std-term\">SOLVER_MAXITER</span>", "<span class=\"xref std std-term\">SOLVER_N_GUESS</span>", "<span class=\"xref std std-term\">SOLVER_N_ROOT</span>", "<span class=\"xref std std-term\">SOLVER_ROOTS_PER_IRREP</span>", "<span class=\"xref std std-term\">SOSCF</span>", "<span class=\"xref std std-term\">SOSCF_CONV</span>", "<span class=\"xref std std-term\">SOSCF_MAX_ITER</span>", "<span class=\"xref std std-term\">SOSCF_MIN_ITER</span>", "<span class=\"xref std std-term\">SOSCF_PRINT</span>", "<span class=\"xref std std-term\">SOSCF_START_CONVERGENCE</span>", "<span class=\"xref std std-term\">STABILITY_ANALYSIS</span>", "<span class=\"xref std std-term\">TDSCF_COEFF_CUTOFF</span>", "<span class=\"xref std std-term\">TDSCF_GUESS</span>", "<span class=\"xref std std-term\">TDSCF_MAXITER</span>", "<span class=\"xref std std-term\">TDSCF_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_R_CONVERGENCE</span>", "<span class=\"xref std std-term\">TDSCF_STATES</span>", "<span class=\"xref std std-term\">TDSCF_TDA</span>", "<span class=\"xref std std-term\">TDSCF_TDM_PRINT</span>", "<span class=\"xref std std-term\">TDSCF_TRIPLETS</span>", "<span class=\"xref std std-term\">THETA_POINTS</span>", "<span class=\"xref std std-term\">THICKNESS</span>", "<span class=\"xref std std-term\">TILE_SZ</span>", "<span class=\"xref std std-term\">UHF_NOONS</span>", "<span class=\"xref std std-term\">WCOMBINE</span>", "<span class=\"xref std std-term\">WFN</span>", "<span class=\"xref std std-term\">P</span>", "<span class=\"xref std std-term\">ROTATIONAL_SYMMETRY_NUMBER</span>", "<span class=\"xref std std-term\">T</span>", "ADC", "CCENERGY", "CFOUR", "DCT", "DDX", "DETCI", "DFMP2", "DFOCC", "DLPNO", "DMRG", "EFP", "FISAPT", "FNOCC", "GDMA", "MCSCF", "MRCC", "OCC", "OEPROP", "PCM", "PE", "PSIMRCC", "SAPT", "SCF", "THERMO", "HSG", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "&lt;no title&gt;", "Keywords by Alpha", "Keywords by Module", "Physical Constants", "&lt;no title&gt;", "PSIOH Intermediate Files", "PSI Variables by Module", "BRIANQC", "CFOUR", "CHEMPS2", "COOKBOOK", "&lt;no title&gt;", "DFTD3", "DFTD4", "DKH", "GCP", "GDMA", "GPU_DFCC", "JSON", "LIBEFP", "MRCC", "PCMSOLVER", "PSI4NUMPY", "PYTHON", "SIMINT", "SNSMP2", "V2RDM_CASSCF", "Basis Sets", "Basis Sets by Element", "Auxiliary Basis Sets", "Basis Sets by Family", "Bibliography", "Interface to the BrianQC GPU module by the BrianQC team", "Build &amp; Run FAQ", "Obtaining <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Compiling and Installing from Source", "Capabilities and Alternate Implementations", "Complete Basis Set", "&lt;no title&gt;", "CC: Coupled Cluster Theory", "Interface to CFOUR by J. Stanton &amp; J. Gauss", "&lt;no title&gt;", "&lt;no title&gt;", "Interface to CheMPS2 by S. Wouters", "Code style conventions", "Conda Binary Distribution", "Interface to CPPE by M. Scheurer", "Generation of Cube Files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">cubeprop()</span></code>", "Customization: Adding Simple Extensions", "Database \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">database()</span></code>", "DCT: Density Cumulant Theory", "Interface to ddx by A. Mikhalev, A. Jha, M. Nottoli and M. F. Herbst", "CI: Configuration Interaction", "DF-MP2: Density-Fitted 2nd-Order M\u00f8ller\u2013Plesset Perturbation Theory", "DFT: Density Functional Theory", "DFT Functionals", "Interface to DFTD3 by S. Grimme", "DFT-NL", "Spectroscopic Constants for Diatomics", "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess", "DLPNO-MP2: Domain-Based Local Pair Natural Orbital MP2", "Updating the <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Users\u2019 and Programmers\u2019 Manual", "Interface to LibECPInt by R. Shaw", "Single-Point Energy \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">energy()</span></code>", "Installation and Runtime Configuration", "External API Objects", "Interface to programs through FCHK files \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">fchk()</span></code>", "F/I-SAPT: Functional Group and/or Intramolecular SAPT", "FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4", "Harmonic Vibrational Analysis and Visualization of Normal Modes \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">frequency()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">hessian()</span></code>", "Interface to gau2grid by D. G. A. Smith", "Interface to gCP by S. Grimme", "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gdma()</span></code>", "PSI Variables by Alpha", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>: Open-Source Quantum Chemistry", "A <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Tutorial", "Function Intercalls", "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities", "Introduction", "Interface to LIBEFP by I. Kaliman", "Interface to Libint by E. Valeev", "Interface to Libxc by M. A. L. Marques", "Adding Add-Ons", "Git, Versioning", "Managing: Git, Conda, CMake and all that", "Release Procedures", "MCSCF: Multi-Configurational Self-Consistent-Field", "Theoretical Methods: SCF to FCI", "Interface to Molden \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">molden()</span></code>", "Interface to MRCC by M. K\u00e1llay", "&lt;no title&gt;", "Basis Set Superposition Corrections", "Notes on Options", "Notes on Options", "Interface to NumPy", "OCC: Orbital-Optimized Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories", "Evaluation of One-Electron Properties \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">oeprop()</span></code>", "Geometry Optimization \u2014 <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">optimize()</span></code> and <code class=\"xref py py-func docutils literal notranslate\"><span class=\"pre\">gradient()</span></code>", "LibOptions: globals, locals, has_changed and all that", "Geometry Optimization", "Interface to PCMSolver by R. Di Remigio", "PEP1: Proposing PsiPEP for <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psi4FockCI: A General Fock-Space CI For Spin-Flip And IP/EA", "Spin-Network-Scaled MP2 (SNS-MP2) by D. E. Shaw", "Plugin v2rdm_casscf by A. E. DePrince", "Creating New Plugins", "Adding Methods to Driver", "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Community Code of Conduct", "Programming with the Core Libraries", "Debugging and Profiling", "Programmers FAQ", "Integrating New Features into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Where to Get Help", "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Introduction to Programming in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Adding New Code to <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Setting Up Your Development Environment", "C++ Style", "Python Style", "General layout of the core: where new C++ code should live", "Ways to Add Code: Psi4NumPy, Plugins, Full Integration", "Welcome to New Programmers", "Property", "<span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> API: Linking C++ and Python", "PsiAPI Tutorial: Using Psi4 as a Python Module", "PSIMRCC Implementation of Mk-MRCC Theory", "PsiPEP: Plans and Practices to Organize <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>", "Psithon Functions: Invoking a Calculation", "Psithon: Structuring an Input File", "Molecule and Geometry Specification", "Defining a Method Alias", "Creating a Database", "Scalar relativistic Hamiltonians", "SAPT: Symmetry-Adapted Perturbation Theory", "HF: Hartree\u2013Fock Theory", "Interface to SIMINT by B. Pritchard", "Embarrassing Parallelism", "TDSCF: Time-dependent Hartree\u2013Fock and density-functional theory", "Test Suite and Sample Inputs", "Vibrational and Thermochemical Analysis", "Psithon Tutorial: Using <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> as an Executable"], "titleterms": {"": [884, 1210, 1735, 1738, 1746, 1759, 1774, 1785, 1837], "0": 1821, "1": [1733, 1770, 1838], "2": 1788, "2nd": 1756, "3": 1788, "3rc1": 1788, "4": [1694, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1706, 1707, 1708, 1731, 1732, 1733, 1735, 1736, 1737, 1738, 1739, 1742, 1743, 1746, 1748, 1758, 1764, 1777, 1778, 1780, 1781, 1797, 1799, 1802, 1804, 1810, 1814, 1815, 1816, 1817, 1818, 1819, 1824, 1825, 1827, 1830, 1833, 1838, 1844], "8": 1788, "82": [1694, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1706, 1707, 1708, 1731, 1732, 1733, 1735, 1736, 1737, 1739, 1742, 1743, 1746, 1748, 1758, 1764, 1777, 1778, 1780, 1781, 1797, 1799, 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"algebra": [1781, 1810], "algorithm": [726, 1208, 1210, 1226, 1231, 1739, 1742, 1753, 1756, 1757, 1771, 1781, 1798, 1817, 1838], "alia": 1834, "alias": 1740, "all": [1758, 1787, 1801], "all_cas": 330, "allow": 1799, "alpha": [1704, 1776], "altern": [1210, 1739], "an": [1748, 1785, 1786, 1832, 1844], "ana": 1748, "anaconda": 1738, "analysi": [1770, 1772, 1775, 1828, 1838, 1843, 1844], "analyt": [1739, 1742, 1753, 1756, 1757, 1771, 1781, 1798], "analyz": [429, 536, 1199, 1203], "angular": 1738, "angularmomentumint": 4, "annot": 1786, "annual": 1788, "anticip": 1788, "ao": 1810, "ao_basi": [411, 430, 513, 557, 727, 1198, 1199, 1202, 1204, 1208], "aoshellcombinationsiter": 3, "api": [1740, 1768, 1772, 1794, 1827], "appendic": 400, "appli": 1747, "approach": 1808, "approv": 1738, "approxim": [1771, 1837], "ar": 1738, "arbitrari": 1755, "arrai": 1797, "array_to_matrix": 331, "array_vari": [151, 152], "ascii": 1786, "assembl": 1788, "atom": 1833, "atomiccomput": 265, "author": 1788, "auto": 1821, "auxiliari": [1694, 1708, 1732], "auxiliary_bond_factor": [1226, 1299], "avail": [0, 1695, 1696, 1697, 1699, 1700, 1701, 1702, 1707, 1731, 1733, 1738, 1752, 1758, 1781, 1802, 1817, 1838], "avg_stat": [783, 1210], "avg_weight": [784, 1210], "avoid": 1824, "b": [1762, 1839], "b_ras3_max": [785, 1210], "bakerjcc93": [1692, 1752], "bakerjcc96": [1692, 1752], "banner": [282, 332], "base": [1754, 1763, 1810], "basi": [400, 898, 1195, 1212, 1223, 1230, 1231, 1437, 1484, 1694, 1707, 1730, 1731, 1732, 1733, 1738, 1740, 1771, 1794, 1799, 1832, 1836, 1837], "basic": [1692, 1742, 1752, 1755, 1771, 1789, 1797, 1798, 1799, 1802, 1828, 1837, 1844], "basis_guess": [1231, 1485], "basis_help": [283, 333], "basis_relativist": [1103, 1221, 1836], "basisext": 6, "basisfunct": 7, "basisset": 8, "bbi": [1692, 1752], "bccd_maxit": [431, 1199], "be_quiet": 153, "befor": 1788, "bench": [1104, 1221], "bench12": [1692, 1752], "benchmark_blas1": 154, "benchmark_blas2": 155, "benchmark_blas3": 156, "benchmark_disk": 157, "benchmark_integr": 158, "benchmark_math": 159, "bendazzoli": [786, 1210], "bibliographi": 1734, "binari": [1736, 1737, 1748, 1808], "bla": [1738, 1810], "block": 1817, "block_diagonal_arrai": 334, "blockopoint": 9, "bodi": [1759, 1771], "bond": [1833, 1837], "border": [1228, 1378, 1749], "border_n_redist": [1228, 1379, 1749], "border_redist_ord": [1228, 1380, 1749], "border_redist_pol": [1228, 1381, 1749], "border_rmin": [1228, 1382, 1749], "border_rmin_unit": [1228, 1383, 1749], "border_typ": [1228, 1384, 1749], "bot": 1822, "boysloc": 10, "bra": 1817, "branch": 1788, "brianqc": [1710, 1735], "brianqc_en": [1105, 1221, 1735], "broken": 1838, "brueckner_maxit": [1066, 1219], "brueckner_orbs_r_converg": [432, 1199, 1742], "bsvec": 5, "buffer": 1817, "bug": 1816, "build": [1, 1735, 1736, 1738, 1746, 1749, 1754, 1762, 1765, 1773, 1775, 1782, 1783, 1784, 1785, 1788, 1803, 1839], "built": [1730, 1735], "bump": 1786, "c": [1738, 1814, 1821, 1823, 1827], "cachelevel": [412, 433, 466, 507, 514, 537, 558, 728, 1198, 1199, 1200, 1201, 1202, 1203, 1204, 1208, 1225, 1242, 1742], "cachetyp": [434, 467, 1199, 1200, 1742], "calc_s_squar": [787, 1210], "calcul": [0, 1742, 1828, 1831, 1838, 1844], "call": [1810, 1817], "cannot": 1786, "canonicalize_active_favg": [1171, 1222], "canonicalize_inactive_favg": [1172, 1222], "capabl": [0, 1738, 1739, 1742, 1746, 1756, 1757, 1771, 1780, 1781, 1798, 1799], "cart_hess_read": [1226, 1300], "cartesian_sym_toler": [1226, 1301], "case": 2, "caviti": 1754, "cb": 284, "cc": [788, 1210, 1742, 1781, 1785], "cc3_follow_root": [468, 1200], "cc_a_ras3_max": [789, 1210], "cc_b_ras3_max": [790, 1210], "cc_diis_max_vec": [911, 1213], "cc_diis_min_vec": [912, 1213], "cc_ex_level": [791, 1210], "cc_fix_extern": [792, 1210], "cc_fix_external_min": [793, 1210], "cc_lambda": [913, 1213], "cc_macro": [794, 1210], "cc_maxit": [914, 1213, 1225, 1243], "cc_mix": [795, 1210], "cc_num_thread": [435, 469, 564, 1199, 1200, 1205, 1229, 1397], 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"cepa_sos_scal": [1225, 1246], "cepa_ss_scal": [1225, 1247], "cepa_typ": [1225, 1248], "cfour": [1206, 1670, 1711, 1743], "cfour_abcdtyp": [568, 1206], "cfour_active_orbi": [569, 1206], "cfour_anh_algorithm": [570, 1206], "cfour_anh_deriv": [571, 1206], "cfour_anh_steps": [572, 1206], "cfour_anh_symmetri": [573, 1206], "cfour_anharmon": [574, 1206], "cfour_ao_ladd": [575, 1206], "cfour_av_scf": [576, 1206], "cfour_basi": [577, 1206], "cfour_bruck_conv": [578, 1206], "cfour_brueckn": [579, 1206], "cfour_cache_rec": [580, 1206], "cfour_calc_level": [581, 1206], "cfour_cc_conv": [582, 1206], "cfour_cc_expord": [583, 1206], "cfour_cc_extrapol": [584, 1206], "cfour_cc_maxcyc": [585, 1206], "cfour_cc_program": [586, 1206], "cfour_charg": [587, 1206], "cfour_cis_conv": [588, 1206], "cfour_continuum": [589, 1206], "cfour_contract": [590, 1206], "cfour_converg": [591, 1206], "cfour_coordin": [592, 1206], "cfour_core_orbit": [593, 1206], "cfour_cphf_conv": [594, 1206], "cfour_cphf_maxcyc": [595, 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[627, 1206], "cfour_genbas_1": [628, 1206], "cfour_genbas_2": [629, 1206], "cfour_genbas_3": [630, 1206], "cfour_genbas_4": [631, 1206], "cfour_geo_conv": [632, 1206], "cfour_geo_maxcyc": [633, 1206], "cfour_geo_maxstep": [634, 1206], "cfour_geo_method": [635, 1206], "cfour_giao": [636, 1206], "cfour_grid": [637, 1206], "cfour_guess": [638, 1206], "cfour_hbar": [639, 1206], "cfour_hfstabl": [640, 1206], "cfour_incor": [641, 1206], "cfour_input_mrcc": [642, 1206], "cfour_integr": [643, 1206], "cfour_joda_print": [644, 1206], "cfour_lineq_conv": [645, 1206], "cfour_lineq_maxci": [646, 1206], "cfour_lineq_typ": [647, 1206], "cfour_lock_orbocc": [648, 1206], "cfour_maxstep": [649, 1206], "cfour_mem_unit": [650, 1206], "cfour_memory_s": [651, 1206], "cfour_method": [652, 1206], "cfour_mrcc": [653, 1206], "cfour_multipl": [654, 1206], "cfour_nacoupl": [655, 1206], "cfour_negev": [656, 1206], "cfour_newnorm": [657, 1206], "cfour_nonhf": [658, 1206], "cfour_ntop_tamp": [659, 1206], 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1231, 1574], "local_method": [444, 482, 521, 545, 1199, 1200, 1202, 1203], "local_pairdef": [445, 522, 546, 1199, 1202, 1203], "local_precondition": [483, 1200], "local_use_ghost": [1061, 1218], "local_weakp": [446, 484, 523, 547, 1199, 1200, 1202, 1203], "locat": 1786, "lock_singlet": [1229, 1415], "log": 1738, "logo": 1738, "long": [1701, 1758, 1788], "loop": 1832, "lorentzian": 325, "low": 1810, "ls_thc_basis_toler": [1131, 1221], "ls_thc_comput": 94, "ls_thc_df": [1132, 1221], "ls_thc_pruning_schem": [1133, 1221], "ls_thc_radial_point": [1134, 1221], "ls_thc_s_epsilon": [1135, 1221], "ls_thc_spherical_point": [1136, 1221], "ls_thc_weights_toler": [1137, 1221], "lse": [839, 1210], "lse_collaps": [840, 1210], "lse_toler": [841, 1210], "lto": 1746, "m": [1, 1749, 1754, 1762, 1784, 1792], "mac": 1738, "macport": 1738, "made": [1828, 1844], "madmp2_sleep": [906, 1212], "mai": 1738, "make_shar": 1821, "manag": [1736, 1786, 1787, 1809], "managedmethoderror": 268, "mani": 1771, "manipul": 1757, "manual": [1747, 1764, 1777], "map": 1764, "mark": 1821, "marqu": 1784, "mat2arr": 363, "mat_num_column_print": [1138, 1221], "math": 1764, "matric": 1210, "matrix": [100, 1746, 1781, 1797, 1810], "matrixfactori": 101, "max_attempt": [1231, 1575], "max_ccd_diisvec": [1230, 1456], "max_disp_g_converg": [1226, 1349], "max_energy_g_converg": [1226, 1350], "max_force_g_converg": [1226, 1351], "max_mem_buf": [1231, 1576], "max_mograd_converg": [930, 1213, 1225, 1266, 1798], "max_num_vec": [1, 404, 842, 1197, 1210], "max_radial_mo": [1139, 1221], "maxit": [1, 405, 447, 485, 524, 548, 741, 1062, 1080, 1185, 1197, 1199, 1200, 1202, 1203, 1208, 1218, 1219, 1222, 1228, 1229, 1230, 1231, 1391, 1416, 1457, 1577, 1742, 1749, 1771, 1837], "mbis_d_converg": [1140, 1221], "mbis_maxit": [1141, 1221], "mbis_pruning_schem": [1142, 1221], "mbis_radial_point": [1143, 1221], "mbis_spherical_point": [1144, 1221], "mcscf": [215, 1210, 1222, 1682, 1789], "mcscf_algorithm": [843, 1210, 1789], 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"within": 1738, "without": [1738, 1786, 1837], "wolf": 1762, "workflow": [1737, 1814], "worth": 1738, "wouter": 1746, "wrapper": [1810, 1832], "write_no": [424, 1198], "write_opt_histori": [1226, 1372], "write_opt_result": [1226, 1373], "write_trajectori": [1226, 1374], "writer_file_label": [1170, 1221, 1772, 1791], "xi": [425, 1198], "xi_connect": [426, 1198], "yapf": 1747, "year": 1788, "your": [1747, 1820], "zero_internal_amp": [1229, 1434], "zeta": [427, 534, 1198, 1202]}})
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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-    <li><a href="http://github.com/psi4/psi4/tree/b0a4576">1.10a1.dev67</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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     <li class="nav-item nav-item-0"><a href="index.html">
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index 47de6bf266..ec205e0d91 100644
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@@ -47,7 +47,7 @@
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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@@ -916,742 +916,745 @@ <h3>Navigation</h3>
 <tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ci-multi/input.dat">ci-multi</a></p></td>
 <td><p>BH single points, checking that program can run multiple instances of  DETCI in a single input, without an intervening clean() call</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-freq2/input.dat">dfmp2-freq2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern5/input.dat">extern5</a></p></td>
+<td><p>External potential sanity check with 0 charge far away Checks if all units behave the same and energy is same as no potential</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-freq2/input.dat">dfmp2-freq2</a></p></td>
 <td><p>DF-MP2 frequency by difference of energies for H2O</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-custom-hybrid/input.dat">dft-custom-hybrid</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-custom-hybrid/input.dat">dft-custom-hybrid</a></p></td>
 <td><p>DFT (hybrids) test of implementations in: hybrid_superfuncs.py</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints4/input.dat">mints4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints4/input.dat">mints4</a></p></td>
 <td><p>A demonstration of mixed Cartesian/ZMatrix geometry specification, using variables, for the benzene-hydronium complex.  Atoms can be placed using ZMatrix coordinates, whether they belong to the same fragment or not.  Note that the Cartesian specification must come before the ZMatrix entries because the former define absolute positions, while the latter are relative.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints15/input.dat">mints15</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints15/input.dat">mints15</a></p></td>
 <td><p>check SP basis Fortran exponent parsing</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-cuhf/input.dat">scf-level-shift-cuhf</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-cuhf/input.dat">scf-level-shift-cuhf</a></p></td>
 <td><p>SCF level shift on a CUHF computation</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-3/input.dat">omp2-3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-3/input.dat">omp2-3</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability1/input.dat">stability1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability1/input.dat">stability1</a></p></td>
 <td><p>UHF-&gt;UHF stability analysis test for BH with cc-pVDZ Test direct SCF with and without symmetry, test PK without symmetry</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/explicit-am-basis/input.dat">explicit-am-basis</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/explicit-am-basis/input.dat">explicit-am-basis</a></p></td>
 <td><p>Check that basis sets can be input with explicit angular momentum format</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2p5-1/input.dat">dfomp2p5-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2p5-1/input.dat">dfomp2p5-1</a></p></td>
 <td><p>DF-OMP2.5 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt14/input.dat">opt14</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt14/input.dat">opt14</a></p></td>
 <td><p>6-31G(d) optimization of SF4 starting from linear bond angle that is not linear in the optimized structure but is in a  symmetry plane of the molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu2-ch2-energy/input.dat">tu2-ch2-energy</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu2-ch2-energy/input.dat">tu2-ch2-energy</a></p></td>
 <td><p>Sample UHF/6-31G** CH2 computation</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-dft2/input.dat">sapt-dft2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-dft2/input.dat">sapt-dft2</a></p></td>
 <td><p>SAPT(DFT) aug-cc-pVDZ computation for the water dimer interaction energy.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc54/input.dat">cc54</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc54/input.dat">cc54</a></p></td>
 <td><p>CCSD dipole with user-specified basis set</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/oremp-grad2/input.dat">oremp-grad2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/oremp-grad2/input.dat">oremp-grad2</a></p></td>
 <td><p>integral conventional OO-REMP/cc-pVDZ engrad single points for the H2O molecule. single point energies were independently checked using the original wavels code</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct8/input.dat">dct8</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct8/input.dat">dct8</a></p></td>
 <td><p>DCT calculation for the NH3+ radical using the ODC-12 and ODC-13 functionals. This performs both simultaneous and QC update of the orbitals and cumulant using DIIS extrapolation. Four-virtual integrals are first handled in the MO Basis for the first two energy computations. In the next computation ao_basis=disk algorithm is used, where the transformation of integrals for  four-virtual case is avoided.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt-full-hess-every/input.dat">opt-full-hess-every</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt-full-hess-every/input.dat">opt-full-hess-every</a></p></td>
 <td><p>SCF/sto-3g optimization with a hessian every step</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt9/input.dat">opt9</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt9/input.dat">opt9</a></p></td>
 <td><p>Various constrained energy minimizations of HOOH with cc-pvdz RHF. Cartesian-coordinate constrained optimizations of HOOH in internals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-func/input.dat">cbs-xtpl-func</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-func/input.dat">cbs-xtpl-func</a></p></td>
 <td><p>optimization with method defined via cbs</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccd1/input.dat">dfccd1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccd1/input.dat">dfccd1</a></p></td>
 <td><p>DF-CCD cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccdl1/input.dat">dfccdl1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccdl1/input.dat">dfccdl1</a></p></td>
 <td><p>DF-CCDL cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt5/input.dat">sapt5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt5/input.dat">sapt5</a></p></td>
 <td><p>SAPT0 aug-cc-pVTZ computation of the charge transfer energy of the water dimer.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-smoke/input.dat">dft-smoke</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-smoke/input.dat">dft-smoke</a></p></td>
 <td><p>DFT Functional Smoke Test</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cepa1/input.dat">cepa1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cepa1/input.dat">cepa1</a></p></td>
 <td><p>cc-pvdz H2O Test CEPA(1) Energy</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-uhf/input.dat">scf-level-shift-uhf</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-uhf/input.dat">scf-level-shift-uhf</a></p></td>
 <td><p>SCF level shift on a UHF computation</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sad-scf-type/input.dat">sad-scf-type</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sad-scf-type/input.dat">sad-scf-type</a></p></td>
 <td><p>Test SAD SCF guesses on noble gas atom</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-dens-cut/input.dat">dft-dens-cut</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-dens-cut/input.dat">dft-dens-cut</a></p></td>
 <td><p>LibXC density screening test. Tests empty, C-only, X-only and XC superfunctionals. ‘super_mix’ showcases how to use different screening values for X and C parts. SCF will fail or crash (nans) without screening!</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sad1/input.dat">sad1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sad1/input.dat">sad1</a></p></td>
 <td><p>Test of the superposition of atomic densities (SAD) guess, using a highly distorted water geometry with a cc-pVDZ basis set.  This is just a test of the code and the user need only specify guess=sad to the SCF module’s (or global) options in order to use a SAD guess. The test is first performed in C2v symmetry, and then in C1.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad1/input.dat">dct-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad1/input.dat">dct-grad1</a></p></td>
 <td><p>Various DCT analytic gradients for the O2 molecule with 6-31G basis set</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-guess-read3/input.dat">scf-guess-read3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-guess-read3/input.dat">scf-guess-read3</a></p></td>
 <td><p>Test if the the guess read in the same basis converges.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-sp1/input.dat">psimrcc-sp1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-sp1/input.dat">psimrcc-sp1</a></p></td>
 <td><p>Mk-MRCCSD single point. <span class="math notranslate nohighlight">\(^3 \Sigma ^-\)</span> O2 state described using the Ms = 0 component of the triplet.  Uses ROHF triplet orbitals.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc26/input.dat">cc26</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc26/input.dat">cc26</a></p></td>
 <td><p>Single-point gradient, analytic and via finite-differences of 2-1A1 state of H2O with EOM-CCSD</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-dft1/input.dat">sapt-dft1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-dft1/input.dat">sapt-dft1</a></p></td>
 <td><p>SAPT(DFT) aug-cc-pVDZ interaction energy between Ne and Ar atoms.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbody-vmfc-hessian/input.dat">nbody-vmfc-hessian</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbody-vmfc-hessian/input.dat">nbody-vmfc-hessian</a></p></td>
 <td><p>Computation of VMFC-corrected water trimer Hessian (geometry from J. Chem. Theory Comput. 11, 2126-2136 (2015))</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8c/input.dat">cc8c</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8c/input.dat">cc8c</a></p></td>
 <td><p>ROHF-CCSD cc-pVDZ frozen-core energy for the <span class="math notranslate nohighlight">\(^2\Sigma^+\)</span> state of the  CN radical, with Cartesian input.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/rasci-h2o/input.dat">rasci-h2o</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/rasci-h2o/input.dat">rasci-h2o</a></p></td>
 <td><p>RASCI/6-31G** H2O Energy Point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-1/input.dat">omp3-1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-1/input.dat">omp3-1</a></p></td>
 <td><p>OMP3 cc-pVDZ energy for the H2O molecule</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-def2/input.dat">mp2-def2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-def2/input.dat">mp2-def2</a></p></td>
 <td><p>Test case for Binding Energy of C4H5N (Pyrrole) with CO2 using MP2/def2-TZVPP</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdomp2-1/input.dat">cdomp2-1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdomp2-1/input.dat">cdomp2-1</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt5/input.dat">opt5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt5/input.dat">opt5</a></p></td>
 <td><p>6-31G** UHF CH2 3B1 optimization.  Uses a Z-Matrix with dummy atoms, just for demo and testing purposes.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad4/input.dat">dct-grad4</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad4/input.dat">dct-grad4</a></p></td>
 <td><p>Unrestricted DF-DCT ODC-12 gradient for O2 with cc-pVTZ/cc-pVTZ-RI standard/auxiliary basis set</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu5-sapt/input.dat">tu5-sapt</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu5-sapt/input.dat">tu5-sapt</a></p></td>
 <td><p>Example SAPT computation for ethene*ethine (i.e., ethylene*acetylene), test case 16 from the S22 database</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-6/input.dat">tdscf-6</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-6/input.dat">tdscf-6</a></p></td>
 <td><p>td-camb3lyp with DiskDF and method/basis specification</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-grad5/input.dat">dfmp2-grad5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-grad5/input.dat">dfmp2-grad5</a></p></td>
 <td><p>Tests DF-MP2 gradient in the presence of a dipole field</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/castup3/input.dat">castup3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/castup3/input.dat">castup3</a></p></td>
 <td><p>SCF with various combinations of pk/density-fitting, castup/no-castup, and spherical/cartesian settings. Demonstrates that puream setting is getting set by orbital basis for all df/castup parts of calc. Demonstrates that answer doesn’t depend on presence/absence of castup. Demonstrates (by comparison to castup2) that output file doesn’t depend on options (scf_type) being set global or local. This input uses local.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct10/input.dat">dct10</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct10/input.dat">dct10</a></p></td>
 <td><p>The multiple guesses for DCT amplitudes for ODC-12.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-sp-2/input.dat">cisd-sp-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-sp-2/input.dat">cisd-sp-2</a></p></td>
 <td><p>6-31G** H2O Test CISD Energy Point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fnocc4/input.dat">fnocc4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fnocc4/input.dat">fnocc4</a></p></td>
 <td><p>Test FNO-DF-CCSD(T) energy</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/molden2/input.dat">molden2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/molden2/input.dat">molden2</a></p></td>
 <td><p>Test of the superposition of atomic densities (SAD) guess, using a highly distorted water geometry with a cc-pVDZ basis set.  This is just a test of the code and the user need only specify guess=sad to the SCF module’s (or global) options in order to use a SAD guess. The test is first performed in C2v symmetry, and then in C1.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2p5-grad1/input.dat">dfomp2p5-grad1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2p5-grad1/input.dat">dfomp2p5-grad1</a></p></td>
 <td><p>DF-OMP2.5 cc-pVDZ gradients for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern4/input.dat">extern4</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern4/input.dat">extern4</a></p></td>
 <td><p>External potential calculation involving a TIP3P water and a QM water. Gradient on the external charges is compared to gradient on the QM atoms to validate the gradient on the charges.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-4/input.dat">omp2-4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-4/input.dat">omp2-4</a></p></td>
 <td><p>SCS-OMP2 cc-pVDZ geometry optimization for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-3/input.dat">dfmp2-3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-3/input.dat">dfmp2-3</a></p></td>
 <td><p>DF-MP2 cc-pVDZ frozen core gradient of benzene, computed at the DF-SCF cc-pVDZ geometry</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/casscf-semi/input.dat">casscf-semi</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/casscf-semi/input.dat">casscf-semi</a></p></td>
 <td><p>CASSCF/6-31G** energy point. Check energy with frozen core/virtual orbs. after semicanonicalization.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ao-casscf-sp/input.dat">ao-casscf-sp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ao-casscf-sp/input.dat">ao-casscf-sp</a></p></td>
 <td><p>CASSCF/6-31G** energy point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-ccsd_t-2/input.dat">psimrcc-ccsd_t-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-ccsd_t-2/input.dat">psimrcc-ccsd_t-2</a></p></td>
 <td><p>Mk-MRCCSD(T) single point. <span class="math notranslate nohighlight">\(^1A_1\)</span> CH2 state described using the Ms = 0 component of the singlet.  Uses RHF singlet orbitals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd2/input.dat">olccd2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd2/input.dat">olccd2</a></p></td>
 <td><p>OLCCD cc-pVDZ energy with B3LYP initial guess for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-ghost/input.dat">dft-ghost</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-ghost/input.dat">dft-ghost</a></p></td>
 <td><p>DFT Functional Test for Range-Seperated Hybrids and Ghost atoms</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-7/input.dat">tdscf-7</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-7/input.dat">tdscf-7</a></p></td>
 <td><p>TD-HF test variable access</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf3/input.dat">scf3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf3/input.dat">scf3</a></p></td>
 <td><p>File retention, docc, socc, and bond distances specified explicitly.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mbis-5/input.dat">mbis-5</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mbis-5/input.dat">mbis-5</a></p></td>
 <td><p>MBIS calculation on ZnO</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp3-2/input.dat">dfomp3-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp3-2/input.dat">dfomp3-2</a></p></td>
 <td><p>DF-OMP3 cc-pVDZ energy for the H2O+ cation</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext-abc2/input.dat">fsapt-ext-abc2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext-abc2/input.dat">fsapt-ext-abc2</a></p></td>
 <td><p>FSAPT with external charge on dimer</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc12/input.dat">cc12</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc12/input.dat">cc12</a></p></td>
 <td><p>Single point energies of multiple excited states with EOM-CCSD</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-coverage/input.dat">fci-coverage</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-coverage/input.dat">fci-coverage</a></p></td>
 <td><p>6-31G H2O Test for coverage</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-ecp/input.dat">dfmp2-ecp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-ecp/input.dat">dfmp2-ecp</a></p></td>
 <td><p>Ne-Xe dimer MP2 energies with ECP, with electrons correlated then frozen.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad2/input.dat">dft-grad2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad2/input.dat">dft-grad2</a></p></td>
 <td><p>DF-BP86-D2 cc-pVDZ frozen core gradient of S22 HCN updated ref gradient due to new BraggSlater radii</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-uhf-grad-nobeta/input.dat">scf-uhf-grad-nobeta</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-uhf-grad-nobeta/input.dat">scf-uhf-grad-nobeta</a></p></td>
 <td><p>UHF gradient for a one-electron system (no beta electrons).</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc39/input.dat">cc39</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc39/input.dat">cc39</a></p></td>
 <td><p>RHF-CC2-LR/cc-pVDZ dynamic polarizabilities of HOF molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-parser/input.dat">cbs-parser</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-parser/input.dat">cbs-parser</a></p></td>
 <td><p>mtd/basis syntax examples</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-fd-freq2/input.dat">psimrcc-fd-freq2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-fd-freq2/input.dat">psimrcc-fd-freq2</a></p></td>
 <td><p>Mk-MRCCSD frequencies. <span class="math notranslate nohighlight">\(^1A_1\)</span> O$_3` state described using the Ms = 0 component of the singlet.  Uses TCSCF orbitals.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp3-grad1/input.dat">mp3-grad1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp3-grad1/input.dat">mp3-grad1</a></p></td>
 <td><p>MP3 cc-pVDZ gradient for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-grad1/input.dat">mp2-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-grad1/input.dat">mp2-grad1</a></p></td>
 <td><p>MP2 cc-pVDZ gradient for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfrasscf-sp/input.dat">dfrasscf-sp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfrasscf-sp/input.dat">dfrasscf-sp</a></p></td>
 <td><p>6-31G** H2O Test RASSCF Energy Point will default to only singles and doubles in the active space</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc44/input.dat">cc44</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc44/input.dat">cc44</a></p></td>
 <td><p>Test case for some of the PSI4 out-of-core codes.  The code is given only 2.0 MB of memory, which is insufficient to hold either the A1 or B2 blocks of an ovvv quantity in-core, but is sufficient to hold at least two copies of an oovv quantity in-core.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-bfs/input.dat">pywrap-bfs</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-bfs/input.dat">pywrap-bfs</a></p></td>
 <td><p>apply linear fragmentation algorithm to a water cluster</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-vv10/input.dat">dft-vv10</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-vv10/input.dat">dft-vv10</a></p></td>
 <td><p>He Dimer VV10 functional test. notes: DFT_VV10_B/C overwrites the NL_DISPERSION_PARAMETERS tuple updated ‘bench’ reference values for new BraggSlater radii.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-custom/input.dat">dft-custom</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-custom/input.dat">dft-custom</a></p></td>
 <td><p>DFT custom functional test</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-cbs1/input.dat">pywrap-cbs1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-cbs1/input.dat">pywrap-cbs1</a></p></td>
 <td><p>Various basis set extrapolation tests</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-ccsd_t-3/input.dat">psimrcc-ccsd_t-3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-ccsd_t-3/input.dat">psimrcc-ccsd_t-3</a></p></td>
 <td><p>Mk-MRCCSD(T) single point. <span class="math notranslate nohighlight">\(^1A_1\)</span> CH2 state described using the Ms = 0 component of the singlet.  Uses RHF singlet orbitals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-2/input.dat">omp2-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-2/input.dat">omp2-2</a></p></td>
 <td><p>OMP2 cc-pVDZ energy with ROHF initial guess orbitals for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2p5-1/input.dat">omp2p5-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2p5-1/input.dat">omp2p5-1</a></p></td>
 <td><p>OMP2.5 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints1/input.dat">mints1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints1/input.dat">mints1</a></p></td>
 <td><p>Symmetry tests for a range of molecules.  This doesn’t actually compute any energies, but serves as an example of the many ways to specify geometries in Psi4.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/lccd-grad2/input.dat">lccd-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/lccd-grad2/input.dat">lccd-grad2</a></p></td>
 <td><p>LCCD cc-pVDZ gradient for the NO radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc53/input.dat">cc53</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc53/input.dat">cc53</a></p></td>
 <td><p>Matches Table II a-CCSD(T)/cc-pVDZ H2O &#64; 2.5 * Re value from Crawford and Stanton,  IJQC 98, 601-611 (1998).</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-property/input.dat">mp2-property</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-property/input.dat">mp2-property</a></p></td>
 <td><p>MP2 cc-pvDZ properties for Nitrogen oxide</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt3/input.dat">sapt3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt3/input.dat">sapt3</a></p></td>
 <td><p>SAPT2+3(CCD) aug-cc-pVDZ+midbond computation of the water dimer interaction energy,  using the aug-cc-pVDZ-JKFIT DF basis for SCF and aug-cc-pVDZ-RI for SAPT.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-property/input.dat">scf-property</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-property/input.dat">scf-property</a></p></td>
 <td><p>UFH and B3LYP cc-pVQZ properties for the CH2 molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc15/input.dat">cc15</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc15/input.dat">cc15</a></p></td>
 <td><p>RHF-B-CCD(T)/6-31G** H2O single-point energy (fzc, MO-basis <span class="math notranslate nohighlight">\(\langle ab|cd \rangle\)</span>)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-cholesky-basis/input.dat">scf-cholesky-basis</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-cholesky-basis/input.dat">scf-cholesky-basis</a></p></td>
 <td><p>incremental Cholesky filtered SCF</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-ecp/input.dat">sapt-ecp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-ecp/input.dat">sapt-ecp</a></p></td>
 <td><p>sapt0 of charged system in ECP basis set</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/numpy-array-interface/input.dat">numpy-array-interface</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/numpy-array-interface/input.dat">numpy-array-interface</a></p></td>
 <td><p>Numpy interface testing</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdt2/input.dat">dfccsdt2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdt2/input.dat">dfccsdt2</a></p></td>
 <td><p>DF-CCSD(T) cc-pVDZ energy for the NH molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbo/input.dat">nbo</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbo/input.dat">nbo</a></p></td>
 <td><p>Generation of NBO file</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdoremp-energy2/input.dat">cdoremp-energy2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdoremp-energy2/input.dat">cdoremp-energy2</a></p></td>
 <td><p>density fitted OO-REMP/cc-pVDZ engrad single points for the H2O+ molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdl1/input.dat">dfccsdl1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdl1/input.dat">dfccsdl1</a></p></td>
 <td><p>DF-CCSDL cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt6/input.dat">sapt6</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt6/input.dat">sapt6</a></p></td>
 <td><p>checks that all SAPT physical components (elst, exch, indc, disp) and total IE are being computed correctly for SAPT2+3(CCD)dMP2/aug-cc-pvdz and all lesser methods thereof.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt8/input.dat">sapt8</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt8/input.dat">sapt8</a></p></td>
 <td><p>SAPT0(ROHF) open-shell computation of CN - Ne interaction energy First with jun-cc-pVDZ and density fitted integrals with ROHF Then with cc-pVDZ and direct integrals, except for dispersion  that is computed with cc-pVDZ-ri density fitting with ROHF.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc30/input.dat">cc30</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc30/input.dat">cc30</a></p></td>
 <td><p>CCSD/sto-3g optical rotation calculation (length gauge only) at two frequencies on methyloxirane</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt1-fd/input.dat">opt1-fd</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt1-fd/input.dat">opt1-fd</a></p></td>
 <td><p>SCF STO-3G geometry optimzation, with Z-matrix input, by finite-differences</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fcidump/input.dat">fcidump</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fcidump/input.dat">fcidump</a></p></td>
 <td><p>test FCIDUMP functionality for rhf/uhf</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp3-grad2/input.dat">dfomp3-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp3-grad2/input.dat">dfomp3-grad2</a></p></td>
 <td><p>DF-OMP3 cc-pVDZ gradients for the H2O+ cation.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-sf1/input.dat">sapt-sf1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt-sf1/input.dat">sapt-sf1</a></p></td>
 <td><p>Tests the Psi4 SF-SAPT code</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability3/input.dat">stability3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability3/input.dat">stability3</a></p></td>
 <td><p>Test LDA stability analysis against QChem.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints-benchmark/input.dat">mints-benchmark</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints-benchmark/input.dat">mints-benchmark</a></p></td>
 <td><p>run some BLAS benchmarks</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp2/input.dat">scf-ecp2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp2/input.dat">scf-ecp2</a></p></td>
 <td><p>Water-Argon complex with ECP present; check of RHF Hessian</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/freq-isotope2/input.dat">freq-isotope2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/freq-isotope2/input.dat">freq-isotope2</a></p></td>
 <td><p>Vibrational and thermo analysis of several water isotopologs. Demonstrates Hessian reuse for different temperatures, pressures, and isotopologs</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-energy-conv/input.dat">cbs-xtpl-energy-conv</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-energy-conv/input.dat">cbs-xtpl-energy-conv</a></p></td>
 <td><p>Extrapolated water energies - conventional integrals version</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/isapt-siao1/input.dat">isapt-siao1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/isapt-siao1/input.dat">isapt-siao1</a></p></td>
 <td><p>This test case shows an example of running the I-SAPT0/jun-cc-pVDZ computation for 2,4-pentanediol (targeting the intramolecular hydrogen bond between the two hydroxyl groups) The SIAO1 link partitioning algorithm is used.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-1/input.dat">omp2-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-1/input.dat">omp2-1</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop-frontier/input.dat">cubeprop-frontier</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop-frontier/input.dat">cubeprop-frontier</a></p></td>
 <td><p>ROHF frontier orbitals of CH2(s) and CH2(t).</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt6/input.dat">opt6</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt6/input.dat">opt6</a></p></td>
 <td><p>Various constrained energy minimizations of HOOH with cc-pvdz RHF Internal-coordinate constraints in internal-coordinate optimizations.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc21/input.dat">cc21</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc21/input.dat">cc21</a></p></td>
 <td><p>ROHF-EOM-CCSD/DZ analytic gradient lowest <span class="math notranslate nohighlight">\(^{2}A_1\)</span> excited state of H2O+ (B1 excitation)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu1-h2o-energy/input.dat">tu1-h2o-energy</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu1-h2o-energy/input.dat">tu1-h2o-energy</a></p></td>
 <td><p>Sample HF/cc-pVDZ H2O computation</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-freq-analytic2/input.dat">dft-freq-analytic2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-freq-analytic2/input.dat">dft-freq-analytic2</a></p></td>
 <td><p>Analytic UKS SVWN frequencies, compared to finite difference values</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-1/input.dat">dfomp2-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-1/input.dat">dfomp2-1</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/oremp-grad1/input.dat">oremp-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/oremp-grad1/input.dat">oremp-grad1</a></p></td>
 <td><p>integral conventional OO-REMP/cc-pVDZ engrad single points for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern3/input.dat">extern3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern3/input.dat">extern3</a></p></td>
 <td><p>External potential calculation with one Ghost atom and one point charge at the same position.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-h2o-fzcv/input.dat">fci-h2o-fzcv</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-h2o-fzcv/input.dat">fci-h2o-fzcv</a></p></td>
 <td><p>6-31G H2O Test FCI Energy Point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-4/input.dat">tdscf-4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-4/input.dat">tdscf-4</a></p></td>
 <td><p>td-wb97x singlet excitation energies of methylene (tda)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt12/input.dat">opt12</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt12/input.dat">opt12</a></p></td>
 <td><p>SCF cc-pVDZ geometry optimzation of ketene, starting from bent structure</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o+-0/input.dat">cisd-h2o+-0</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o+-0/input.dat">cisd-h2o+-0</a></p></td>
 <td><p>6-31G** H2O+ Test CISD Energy Point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/zaptn-nh2/input.dat">zaptn-nh2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/zaptn-nh2/input.dat">zaptn-nh2</a></p></td>
 <td><p>ZAPT(n)/6-31G NH2 Energy Point, with n=2-25</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext-abc-au/input.dat">fsapt-ext-abc-au</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext-abc-au/input.dat">fsapt-ext-abc-au</a></p></td>
 <td><p>analog of fsapt-ext-abc with molecule and external potentials in Bohr</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-align/input.dat">pywrap-align</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-align/input.dat">pywrap-align</a></p></td>
 <td><p>apply linear fragmentation algorithm to a water cluster</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/rasci-ne/input.dat">rasci-ne</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/rasci-ne/input.dat">rasci-ne</a></p></td>
 <td><p>Ne atom RASCI/cc-pVQZ  Example of split-virtual CISD[TQ] from Sherrill and Schaefer, J. Phys. Chem. XXX This uses a “primary” virtual space 3s3p (RAS 2), a “secondary” virtual space 3d4s4p4d4f (RAS 3), and a “tertiary” virtual space consisting of the remaining virtuals.  First, an initial CISD computation is run to get the natural orbitals; this allows a meaningful partitioning of the virtual orbitals into groups of different importance.  Next, the RASCI is run.  The split-virtual CISD[TQ] takes all singles and doubles, and all triples and quadruples with no more than 2 electrons in the secondary virtual subspace (RAS 3).  If any electrons are present in the tertiary virtual subspace (RAS 4), then that excitation is only allowed if it is a single or double.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad-meta/input.dat">dft-grad-meta</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad-meta/input.dat">dft-grad-meta</a></p></td>
 <td><p>meta-GGA gradients of water and ssh molecules reference gradients updated due to new BraggSlater radii</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern2/input.dat">extern2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/extern2/input.dat">extern2</a></p></td>
 <td><p>External potential calculation involving a TIP3P water and a QM water for DFMP2. Finite different test of the gradient is performed to validate forces.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-grad1/input.dat">olccd-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-grad1/input.dat">olccd-grad1</a></p></td>
 <td><p>OLCCD cc-pVDZ gradient for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-hess2/input.dat">scf-hess2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-hess2/input.dat">scf-hess2</a></p></td>
 <td><p>UHF STO-3G (Cartesian) and cc-pVDZ (spherical) water Hessian test, against Psi3 reference values. This test should match RHF values exactly</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-1/input.dat">tdscf-1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tdscf-1/input.dat">tdscf-1</a></p></td>
 <td><p>td-uhf test on triplet states of methylene (rpa)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc28/input.dat">cc28</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc28/input.dat">cc28</a></p></td>
 <td><p>CCSD/cc-pVDZ optical rotation calculation (length gauge only) on Z-mat H2O2</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-h/input.dat">mp2-h</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mp2-h/input.dat">mp2-h</a></p></td>
 <td><p>check that methods can act on single atom</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-fd-freq1/input.dat">psimrcc-fd-freq1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/psimrcc-fd-freq1/input.dat">psimrcc-fd-freq1</a></p></td>
 <td><p>Mk-MRCCSD single point. <span class="math notranslate nohighlight">\(^3 \Sigma ^-\)</span> O2 state described using the Ms = 0 component of the triplet.  Uses ROHF triplet orbitals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/frac/input.dat">frac</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/frac/input.dat">frac</a></p></td>
 <td><p>Carbon/UHF Fractionally-Occupied SCF Test Case</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-tdm-2/input.dat">fci-tdm-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-tdm-2/input.dat">fci-tdm-2</a></p></td>
 <td><p>BH-H2+ FCI/cc-pVDZ Transition Dipole Moment</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints2/input.dat">mints2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints2/input.dat">mints2</a></p></td>
 <td><p>A test of the basis specification.  A benzene atom is defined using a ZMatrix containing dummy atoms and various basis sets are assigned to different atoms.  The symmetry of the molecule is automatically lowered to account for the different basis sets.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o+-2/input.dat">cisd-h2o+-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o+-2/input.dat">cisd-h2o+-2</a></p></td>
 <td><p>6-31G** H2O+ Test CISD Energy Point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt8/input.dat">opt8</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt8/input.dat">opt8</a></p></td>
 <td><p>Various constrained energy minimizations of HOOH with cc-pvdz RHF. Cartesian-coordinate constrained optimizations of HOOH in Cartesians.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/freq-isotope1/input.dat">freq-isotope1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/freq-isotope1/input.dat">freq-isotope1</a></p></td>
 <td><p>Vibrational and thermo analysis of several water isotopologs. Demonstrates Hessian reuse for different temperatures and pressures but not for different isotopologs.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt13/input.dat">opt13</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt13/input.dat">opt13</a></p></td>
 <td><p>B3LYP cc-pVDZ geometry optimzation of phenylacetylene, starting from not quite linear structure updated reference due to new BraggSlater radii</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdomp2-2/input.dat">cdomp2-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdomp2-2/input.dat">cdomp2-2</a></p></td>
 <td><p>OMP2 cc-pVDZ energy for the NO molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt10/input.dat">sapt10</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt10/input.dat">sapt10</a></p></td>
 <td><p>usapt example with empty beta due to frozen core</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad-lr3/input.dat">dft-grad-lr3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-grad-lr3/input.dat">dft-grad-lr3</a></p></td>
 <td><p>wB97X-D test for a large UKS molecule update ref gradient due to new BraggSlater radii</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints-helper/input.dat">mints-helper</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints-helper/input.dat">mints-helper</a></p></td>
 <td><p>A general test of the MintsHelper function</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-grad1/input.dat">omp2-grad1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-grad1/input.dat">omp2-grad1</a></p></td>
 <td><p>OMP2 cc-pVDZ gradient for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-dipole/input.dat">fci-dipole</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-dipole/input.dat">fci-dipole</a></p></td>
 <td><p>6-31G H2O Test FCI Energy Point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/props2/input.dat">props2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/props2/input.dat">props2</a></p></td>
 <td><p>DF-SCF cc-pVDZ of benzene-hydronium ion, scanning the dissociation coordinate with Python’s built-in loop mechanism. The geometry is specified by a Z-matrix with dummy atoms, fixed parameters, updated parameters, and separate charge/multiplicity specifiers for each monomer. One-electron properties computed for dimer and one monomer.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-tdm/input.dat">fci-tdm</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fci-tdm/input.dat">fci-tdm</a></p></td>
 <td><p>He2+ FCI/cc-pVDZ Transition Dipole Moment</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints10/input.dat">mints10</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints10/input.dat">mints10</a></p></td>
 <td><p>H2 with tiny basis set, to test basis set parser’s handling of integers</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-reference/input.dat">dft-reference</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-reference/input.dat">dft-reference</a></p></td>
 <td><p>MP2 with a PBE0 reference computation</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints9/input.dat">mints9</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mints9/input.dat">mints9</a></p></td>
 <td><p>A test of the basis specification.  Various basis sets are specified outright and in blocks, both orbital and auxiliary. Constructs libmints BasisSet objects through the constructor that calls qcdb.BasisSet infrastructure. Checks that the resulting bases are of the right size and checks that symmetry of the Molecule observes the basis assignment to atoms.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt0-d/input.dat">sapt0-d</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt0-d/input.dat">sapt0-d</a></p></td>
 <td><p>Tests SAPT0-D corrections, with a variety of damping functions/parameters</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o-clpse/input.dat">cisd-h2o-clpse</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-h2o-clpse/input.dat">cisd-h2o-clpse</a></p></td>
 <td><p>6-31G** H2O Test CISD Energy Point with subspace collapse</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbody-nocp-gradient/input.dat">nbody-nocp-gradient</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/nbody-nocp-gradient/input.dat">nbody-nocp-gradient</a></p></td>
 <td><p>Computation of NoCP-corrected water trimer gradient (geometry from J. Chem. Theory Comput. 11, 2126-2136 (2015))</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-grad2/input.dat">olccd-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-grad2/input.dat">olccd-grad2</a></p></td>
 <td><p>OLCCD cc-pVDZ gradient for the NO radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt1/input.dat">fsapt1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt1/input.dat">fsapt1</a></p></td>
 <td><p>This test case shows an example of running and analyzing a standard F-SAPT0/jun-cc-pvdz procedure for phenol dimer from the S22 database.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt2/input.dat">fsapt2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt2/input.dat">fsapt2</a></p></td>
 <td><p>A very quick correctness test of F-SAPT (see fsapt1 for a real example)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct6/input.dat">dct6</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct6/input.dat">dct6</a></p></td>
 <td><p>DCT calculation for the triplet O2 using DC-06 and DC-12. Only two-step algorithm is tested.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/matrix1/input.dat">matrix1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/matrix1/input.dat">matrix1</a></p></td>
 <td><p>An example of using BLAS and LAPACK calls directly from the Psi input file, demonstrating matrix multiplication, eigendecomposition, Cholesky decomposition and LU decomposition. These operations are performed on vectors and matrices provided from the Psi library.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc1/input.dat">cc1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc1/input.dat">cc1</a></p></td>
 <td><p>RHF-CCSD 6-31G** all-electron optimization of the H2O molecule</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mom-h2o-3/input.dat">mom-h2o-3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mom-h2o-3/input.dat">mom-h2o-3</a></p></td>
 <td><p>MOM excitation from LUMO HOMO+3</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext/input.dat">fsapt-ext</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-ext/input.dat">fsapt-ext</a></p></td>
 <td><p>Quick test of external potential in F-SAPT (see fsapt1 for a real example)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fisapt-siao1/input.dat">fisapt-siao1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fisapt-siao1/input.dat">fisapt-siao1</a></p></td>
 <td><p>This test case shows an example of running the I-SAPT0/jun-cc-pVDZ computation for 2,4-pentanediol (targeting the intramolecular hydrogen bond between the two hydroxyl groups) The SIAO1 link partitioning algorithm is used. An F-SAPT partitioning follows I-SAPT.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc52/input.dat">cc52</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc52/input.dat">cc52</a></p></td>
 <td><p>CCSD Response for H2O2</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-4/input.dat">dfmp2-4</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-4/input.dat">dfmp2-4</a></p></td>
 <td><p>conventional and density-fitting mp2 test of mp2 itself and setting scs-mp2</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdremp-2/input.dat">cdremp-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdremp-2/input.dat">cdremp-2</a></p></td>
 <td><p>Cholesky decomposed REMP/cc-pVDZ energies for the CH3 radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-freq1/input.dat">dfmp2-freq1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-freq1/input.dat">dfmp2-freq1</a></p></td>
 <td><p>DF-MP2 frequency by difference of energies for H2O</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-2/input.dat">omp3-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-2/input.dat">omp3-2</a></p></td>
 <td><p>OMP3 cc-pCVDZ energy with ROHF initial guess for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc27/input.dat">cc27</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc27/input.dat">cc27</a></p></td>
 <td><p>Single point gradient of 1-1B2 state of H2O with EOM-CCSD</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc22/input.dat">cc22</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc22/input.dat">cc22</a></p></td>
 <td><p>ROHF-EOM-CCSD/DZ on the lowest two states of each irrep in <span class="math notranslate nohighlight">\(^{3}B_1\)</span> CH2.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/castup1/input.dat">castup1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/castup1/input.dat">castup1</a></p></td>
 <td><p>Test of SAD/Cast-up (mainly not dying due to file weirdness)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdt1/input.dat">dfccsdt1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsdt1/input.dat">dfccsdt1</a></p></td>
 <td><p>DF-CCSD(T) cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-all/input.dat">pywrap-all</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-all/input.dat">pywrap-all</a></p></td>
 <td><p>Intercalls among python wrappers- database, cbs, optimize, energy, etc. Though each call below functions individually, running them all in sequence or mixing up the sequence is aspirational at present. Also aspirational is using the intended types of gradients.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/x2c1/input.dat">x2c1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/x2c1/input.dat">x2c1</a></p></td>
 <td><p>Test of SFX2C-1e on water uncontracted cc-pVDZ-DK The reference numbers are from Lan Cheng’s implementation in Cfour</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc3/input.dat">cc3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc3/input.dat">cc3</a></p></td>
 <td><p>cc3: RHF-CCSD/6-31G** H2O geometry optimization and vibrational frequency analysis by finite-differences of gradients</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ddd-deriv/input.dat">ddd-deriv</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ddd-deriv/input.dat">ddd-deriv</a></p></td>
 <td><p>Sample HF/cc-pVDZ H2O computation all derivatives</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fd-gradient/input.dat">fd-gradient</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fd-gradient/input.dat">fd-gradient</a></p></td>
 <td><p>SCF STO-3G finite-difference tests</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-nbody/input.dat">cbs-xtpl-nbody</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-nbody/input.dat">cbs-xtpl-nbody</a></p></td>
 <td><p>RHF interaction energies using nbody and cbs parts of the driver Ne dimer with mp2/v[dt]z + d:ccsd(t)/vdz</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-upcast-custom-basis/input.dat">scf-upcast-custom-basis</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-upcast-custom-basis/input.dat">scf-upcast-custom-basis</a></p></td>
 <td><p>test scf castup with custom basis sets</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cepa2/input.dat">cepa2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cepa2/input.dat">cepa2</a></p></td>
 <td><p>cc-pvdz H2O Test ACPF Energy/Properties</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc5/input.dat">cc5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc5/input.dat">cc5</a></p></td>
 <td><p>RHF CCSD(T) cc-pVDZ frozen-core energy of C4NH4 Anion</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-grad3/input.dat">dfomp2-grad3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-grad3/input.dat">dfomp2-grad3</a></p></td>
 <td><p>Tests OMP2 gradient in the presence of a dipole field</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc-module/input.dat">cc-module</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc-module/input.dat">cc-module</a></p></td>
 <td><p>check that CC is returning the same values btwn CC*, FNOCC, and DFOCC modules</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsd-grad2/input.dat">dfccsd-grad2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfccsd-grad2/input.dat">dfccsd-grad2</a></p></td>
 <td><p>DF-CCSD cc-pVDZ gradient for the NH molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt16/input.dat">opt16</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt16/input.dat">opt16</a></p></td>
 <td><p>SCF 6-31G(d) optimization of TS for HCN to HNC Performs finite difference hessian calculation. Then optimizes using previous orbitals for scf guess, in subsequent calculations. The last two displacements of the hessian break the plane of symemtry, This test confirms that only the reference geometry, with the correct symmetry, writes orbitals to disk. SCF will fail (ValidationError) otherwise.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp/input.dat">scf-ecp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp/input.dat">scf-ecp</a></p></td>
 <td><p>Water-Argon complex with ECP present; check of energies and forces.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2p5-grad2/input.dat">omp2p5-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2p5-grad2/input.dat">omp2p5-grad2</a></p></td>
 <td><p>OMP2.5 cc-pVDZ gradient for the NO radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-terms/input.dat">fsapt-terms</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsapt-terms/input.dat">fsapt-terms</a></p></td>
 <td><p>F-SAPT0/jun-cc-pvdz procedure for methane dimer</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd1/input.dat">olccd1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd1/input.dat">olccd1</a></p></td>
 <td><p>OLCCD cc-pVDZ energy for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-grad1/input.dat">dfomp2-grad1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfomp2-grad1/input.dat">dfomp2-grad1</a></p></td>
 <td><p>DF-OMP2 cc-pVDZ gradients for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfcasscf-sa-sp/input.dat">dfcasscf-sa-sp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfcasscf-sa-sp/input.dat">dfcasscf-sa-sp</a></p></td>
 <td><p>Example of state-averaged CASSCF for the C2 molecule</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-alpha/input.dat">cbs-xtpl-alpha</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-alpha/input.dat">cbs-xtpl-alpha</a></p></td>
 <td><p>Extrapolated water energies</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dlpnomp2-1/input.dat">dlpnomp2-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dlpnomp2-1/input.dat">dlpnomp2-1</a></p></td>
 <td><p>comparison of DF-MP2 and DLPNO-MP2</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-rks/input.dat">scf-level-shift-rks</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-level-shift-rks/input.dat">scf-level-shift-rks</a></p></td>
 <td><p>SCF level shift on an RKS computation</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt11/input.dat">opt11</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/opt11/input.dat">opt11</a></p></td>
 <td><p>Transition-state optimizations of HOOH to both torsional transition states.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-basis/input.dat">pywrap-basis</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/pywrap-basis/input.dat">pywrap-basis</a></p></td>
 <td><p>SAPT calculation on bimolecular complex where monomers are unspecified so driver auto-fragments it. Basis set and auxiliary basis sets are assigned by atom type.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-jk/input.dat">dft-jk</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft-jk/input.dat">dft-jk</a></p></td>
 <td><p>DFT JK on-disk test</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-grad3/input.dat">dfmp2-grad3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-grad3/input.dat">dfmp2-grad3</a></p></td>
 <td><p>DF-MP2 cc-pVDZ gradients for the H2O molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mpn-bh/input.dat">mpn-bh</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/mpn-bh/input.dat">mpn-bh</a></p></td>
 <td><p>MP(n)/aug-cc-pVDZ BH Energy Point, with n=2-19.  Compare against  M. L. Leininger et al., J. Chem. Phys. 112, 9213 (2000)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc45/input.dat">cc45</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc45/input.dat">cc45</a></p></td>
 <td><p>RHF-EOM-CC2/cc-pVDZ lowest two states of each symmetry of H2O.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dforemp-grad2/input.dat">dforemp-grad2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dforemp-grad2/input.dat">dforemp-grad2</a></p></td>
 <td><p>density fitted OO-REMP/cc-pVDZ engrad single points for the H2O+ molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc4/input.dat">cc4</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc4/input.dat">cc4</a></p></td>
 <td><p>RHF-CCSD(T) cc-pVQZ frozen-core energy of the BH molecule, with Cartesian input. After the computation, the checkpoint file is renamed, using the PSIO handler.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-guess/input.dat">scf-guess</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-guess/input.dat">scf-guess</a></p></td>
 <td><p>Test initial SCF guesses on FH and FH+ in cc-pVTZ basis</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf6/input.dat">scf6</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf6/input.dat">scf6</a></p></td>
 <td><p>Tests RHF/ROHF/UHF SCF gradients</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad3/input.dat">dct-grad3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct-grad3/input.dat">dct-grad3</a></p></td>
 <td><p>Restricted DF-DCT ODC-12 gradient for ethylene with cc-pVDZ/cc-pVDZ-RI standard/auxiliary basis set</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-freq1/input.dat">olccd-freq1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/olccd-freq1/input.dat">olccd-freq1</a></p></td>
 <td><p>OLCCD cc-pVDZ freqs for C2H2</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8a/input.dat">cc8a</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8a/input.dat">cc8a</a></p></td>
 <td><p>ROHF-CCSD(T) cc-pVDZ frozen-core energy for the <span class="math notranslate nohighlight">\(^2\Sigma^+\)</span> state of the CN radical, with Cartesian input.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc41/input.dat">cc41</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc41/input.dat">cc41</a></p></td>
 <td><p>RHF-CC2-LR/cc-pVDZ optical rotation of H2O2.  gauge = both, omega = (589 355 nm)</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp3/input.dat">scf-ecp3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-ecp3/input.dat">scf-ecp3</a></p></td>
 <td><p>Water-Argon complex with ECP present; check of UHF Hessian</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt9/input.dat">sapt9</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/sapt9/input.dat">sapt9</a></p></td>
 <td><p>usapt example with empty beta</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft3/input.dat">dft3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dft3/input.dat">dft3</a></p></td>
 <td><p>DFT integral algorithms test, performing w-B97 RKS and UKS computations on water and its cation, using all of the different integral algorithms.  This tests both the ERI and ERF integrals.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/decontract/input.dat">decontract</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/decontract/input.dat">decontract</a></p></td>
 <td><p>RHF/cc-pvdz-decontract HCl single-point energy  Testing the in line -decontract option for basis sets</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop-esp/input.dat">cubeprop-esp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop-esp/input.dat">cubeprop-esp</a></p></td>
 <td><p>RHF orbitals and density for water.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-sp/input.dat">cisd-sp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cisd-sp/input.dat">cisd-sp</a></p></td>
 <td><p>6-31G** H2O Test CISD Energy Point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/soscf-dft/input.dat">soscf-dft</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/soscf-dft/input.dat">soscf-dft</a></p></td>
 <td><p>Triple and Singlet Oxygen energy SOSCF, also tests non-symmetric density matrices</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfcasscf-sp/input.dat">dfcasscf-sp</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfcasscf-sp/input.dat">dfcasscf-sp</a></p></td>
 <td><p>CASSCF/6-31G** energy point</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/density-screen-1/input.dat">density-screen-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/density-screen-1/input.dat">density-screen-1</a></p></td>
 <td><p>RHF Density Matrix based-Integral Screening Test for water</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc29/input.dat">cc29</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc29/input.dat">cc29</a></p></td>
 <td><p>CCSD/cc-pVDZ optical rotation calculation (both gauges) on Cartesian H2O2</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-5/input.dat">omp3-5</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-5/input.dat">omp3-5</a></p></td>
 <td><p>SOS-OMP3 cc-pVDZ geometry optimization for the H2O molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-response2/input.dat">scf-response2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf-response2/input.dat">scf-response2</a></p></td>
 <td><p>Compute the dipole polarizability for water with custom basis set.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ao-dfcasscf-sp/input.dat">ao-dfcasscf-sp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ao-dfcasscf-sp/input.dat">ao-dfcasscf-sp</a></p></td>
 <td><p>CASSCF/6-31G** energy point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdremp-1/input.dat">cdremp-1</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cdremp-1/input.dat">cdremp-1</a></p></td>
 <td><p>Cholesky decomposed REMP/cc-pVDZ energies for the CO2 molecule.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-3/input.dat">omp3-3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp3-3/input.dat">omp3-3</a></p></td>
 <td><p>OMP3 cc-pCVDZ energy with B3LYP initial guess for the NO radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-grad2/input.dat">omp2-grad2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/omp2-grad2/input.dat">omp2-grad2</a></p></td>
 <td><p>OMP2 cc-pVDZ gradient for the NO radical</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc42/input.dat">cc42</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc42/input.dat">cc42</a></p></td>
 <td><p>RHF-CC2-LR/STO-3G optical rotation of (S)-methyloxirane.  gauge = length, omega = (589 355 nm)</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct5/input.dat">dct5</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dct5/input.dat">dct5</a></p></td>
 <td><p>DC-06 calculation for the O2 molecule (triplet ground state). This performs  geometry optimization using two-step and simultaneous solution of the  response equations for the analytic gradient.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-opt/input.dat">cbs-xtpl-opt</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-opt/input.dat">cbs-xtpl-opt</a></p></td>
 <td><p>Various extrapolated optimization methods for the H2 molecule</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsaptd-terms/input.dat">fsaptd-terms</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/fsaptd-terms/input.dat">fsaptd-terms</a></p></td>
 <td><p>F-SAPT0/jun-cc-pvdz procedure for methane dimer</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/x2c3/input.dat">x2c3</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/x2c3/input.dat">x2c3</a></p></td>
 <td><p>Test of SFX2C-1e on Water uncontracted cc-pVDZ The reference numbers are from Lan Cheng’s implementation in Cfour</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8b/input.dat">cc8b</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc8b/input.dat">cc8b</a></p></td>
 <td><p>ROHF-CCSD cc-pVDZ frozen-core energy for the <span class="math notranslate nohighlight">\(^2\Sigma^+\)</span> state of the  CN radical, with Cartesian input.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf2/input.dat">scf2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/scf2/input.dat">scf2</a></p></td>
 <td><p>RI-SCF cc-pVTZ energy of water, with Z-matrix input and cc-pVTZ-RI auxilliary basis.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ghosts/input.dat">ghosts</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/ghosts/input.dat">ghosts</a></p></td>
 <td><p>Density fitted MP2 cc-PVDZ/cc-pVDZ-RI computation of formic acid dimer binding energy using explicit specification of ghost atoms.  This is equivalent to the dfmp2_1 sample but uses both (equivalent) specifications of ghost atoms in a manual counterpoise correction.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc10/input.dat">cc10</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cc10/input.dat">cc10</a></p></td>
 <td><p>ROHF-CCSD cc-pVDZ energy for the <span class="math notranslate nohighlight">\(^2\Sigma^+\)</span> state of the CN radical</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-wrapper/input.dat">cbs-xtpl-wrapper</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cbs-xtpl-wrapper/input.dat">cbs-xtpl-wrapper</a></p></td>
 <td><p>RHF aug-cc-pVQZ energy for the BH molecule, with Cartesian input. Various gradients for a strained helium dimer and water molecule</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu4-h2o-freq/input.dat">tu4-h2o-freq</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu4-h2o-freq/input.dat">tu4-h2o-freq</a></p></td>
 <td><p>Optimization followed by frequencies H2O HF/cc-pVDZ</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/linK-3/input.dat">linK-3</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/linK-3/input.dat">linK-3</a></p></td>
 <td><p>UHF and ROHF Linear Exchange Algorithm test for benzyl cation</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/linK-2/input.dat">linK-2</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/linK-2/input.dat">linK-2</a></p></td>
 <td><p>RKS Linear Exchange Algorithm test for benzene</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop/input.dat">cubeprop</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/cubeprop/input.dat">cubeprop</a></p></td>
 <td><p>RHF orbitals and density for water.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/casscf-sp/input.dat">casscf-sp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/casscf-sp/input.dat">casscf-sp</a></p></td>
 <td><p>CASSCF/6-31G** energy point</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability2/input.dat">stability2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/stability2/input.dat">stability2</a></p></td>
 <td><p>ROHF stability analysis check for CN with cc-pVDZ. This test corresponds to the rohf-stab test from Psi3.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/basis-ecp/input.dat">basis-ecp</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/basis-ecp/input.dat">basis-ecp</a></p></td>
 <td><p>check mixing ECP and non-ECP orbital/fitting basis sets in a session</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/frac-ip-fitting/input.dat">frac-ip-fitting</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/frac-ip-fitting/input.dat">frac-ip-fitting</a></p></td>
 <td><p>Omega optimization for LRC functional wB97 on water</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu3-h2o-opt/input.dat">tu3-h2o-opt</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/tu3-h2o-opt/input.dat">tu3-h2o-opt</a></p></td>
 <td><p>Optimize H2O HF/cc-pVDZ</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-2/input.dat">dfmp2-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfmp2-2/input.dat">dfmp2-2</a></p></td>
 <td><p>Density fitted MP2 energy of H2, using density fitted reference and automatic looping over cc-pVDZ and cc-pVTZ basis sets. Results are tabulated using the built in table functions by using the default options and by specifiying the format.</p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfremp-1/input.dat">dfremp-1</a></p></td>
+<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/dfremp-1/input.dat">dfremp-1</a></p></td>
 <td><p>density fitted REMP/cc-pVDZ energies for the CO2 molecule.</p></td>
 </tr>
-<tr class="row-even"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/aediis-2/input.dat">aediis-2</a></p></td>
+<tr class="row-odd"><td><p><a class="extlink-srcsample reference external" href="https://github.com/psi4/psi4/blob/master/samples/aediis-2/input.dat">aediis-2</a></p></td>
 <td><p>EDIIS test case from 10.1063/1.1470195</p></td>
 </tr>
 </tbody>
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index e8e9a1f9a1..5cc3b3a036 100644
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@@ -47,7 +47,7 @@
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2cb6a2809c..b8117b0a29 100644
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@@ -47,7 +47,7 @@
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/96bfb21">1.10a1.dev68</a></li>
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