diff --git a/sphinxman/master/_modules/index.html b/sphinxman/master/_modules/index.html
index 1ea5ae22ff2..6904105e592 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></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>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 691ce4a1cc6..67bd057f565 100644
--- a/sphinxman/master/_modules/psi4/driver/aliases.html
+++ b/sphinxman/master/_modules/psi4/driver/aliases.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></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>
     <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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -385,7 +385,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -399,7 +399,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index acb56065790..d5b9a1f07b6 100644
--- a/sphinxman/master/_modules/psi4/driver/diatomic.html
+++ b/sphinxman/master/_modules/psi4/driver/diatomic.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=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></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><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_modules/psi4/driver/driver.html b/sphinxman/master/_modules/psi4/driver/driver.html
index c1bb420587b..b5df9a248c9 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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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></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><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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2314,7 +2314,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 78ae9c76213..16ca19fc879 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_cbs.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_cbs.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=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -2026,7 +2026,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 4141bdbcd4e..da0c681b2d0 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=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 56a005dc430..ef6585520b6 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=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -1761,7 +1761,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5f8660457a9..0a8f27a459d 100644
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
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@@ -992,7 +992,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
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@@ -360,7 +360,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
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@@ -505,7 +505,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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--- a/sphinxman/master/_modules/psi4/driver/p4util/exceptions.html
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-    <script src="../../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../../_static/documentation_options.js?v=5486f281"></script>
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../../../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></script>
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@@ -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/task_planner.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -471,7 +471,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -485,7 +485,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/wrapper_autofrag.html b/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
index 1e129ab2bcc..f38d2113811 100644
--- a/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.html
+++ b/sphinxman/master/_modules/psi4/driver/wrapper_autofrag.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=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></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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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/wrapper_database.html b/sphinxman/master/_modules/psi4/driver/wrapper_database.html
index d9d756506e3..d724d9d0f9d 100644
--- a/sphinxman/master/_modules/psi4/driver/wrapper_database.html
+++ b/sphinxman/master/_modules/psi4/driver/wrapper_database.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=b2221a65"></script>
+    <script src="../../../_static/documentation_options.js?v=5486f281"></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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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -832,7 +832,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/extras.html b/sphinxman/master/_modules/psi4/extras.html
index 47d677cb609..ecfe000e9e3 100644
--- a/sphinxman/master/_modules/psi4/extras.html
+++ b/sphinxman/master/_modules/psi4/extras.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=b2221a65"></script>
+    <script src="../../_static/documentation_options.js?v=5486f281"></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/extras.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -487,7 +487,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -501,7 +501,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 7dab21568ea..43d031842e0 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=b2221a65"></script>
+    <script src="../../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 dd1376ffd79..10bd3be6b99 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=b2221a65"></script>
+    <script src="../../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_static/documentation_options.js b/sphinxman/master/_static/documentation_options.js
index 74f20766f27..4629ffaaddb 100644
--- a/sphinxman/master/_static/documentation_options.js
+++ b/sphinxman/master/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '6f66e7b',
+    VERSION: '3e8a827',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
diff --git a/sphinxman/master/adc.html b/sphinxman/master/adc.html
index 29afba531d2..f6ab357aeec 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 fa82ea2ac88..0ec9a0f686a 100644
--- a/sphinxman/master/adcc.html
+++ b/sphinxman/master/adcc.html
@@ -47,7 +47,7 @@
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -393,7 +393,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -892,7 +892,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -288,7 +288,7 @@ <h3>Navigation</h3>
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@@ -302,7 +302,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -298,7 +298,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -312,7 +312,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 159024cba03..e48e76a7c53 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8e6aecf6cd1..84b8fb3546a 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -620,7 +620,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -309,7 +309,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.BoysLocalizer.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -271,7 +271,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d35523cdf2f..6b63c597be7 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
@@ -389,7 +389,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5d5e7eae6d7..4f5b7d66352 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b0741952d51..f1adafa6633 100644
--- a/sphinxman/master/api/psi4.core.CUHF.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -264,7 +264,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -283,7 +283,7 @@ <h3>Navigation</h3>
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@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -253,7 +253,7 @@ <h3>Navigation</h3>
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@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 97932240445..7f66761e4e6 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1e3b08cc06e..6a75b69c2be 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -291,7 +291,7 @@ <h3>Navigation</h3>
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -452,7 +452,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -466,7 +466,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6de3ce59b16..907a08aa0e2 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0c6dd5ed057..089ee732ea5 100644
--- a/sphinxman/master/api/psi4.core.DFTGrid.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -297,7 +297,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 590e81ddc03..6c7a6a394aa 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b98c6cf49b8..d980889d398 100644
--- a/sphinxman/master/api/psi4.core.DGEMM.html
+++ b/sphinxman/master/api/psi4.core.DGEMM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 29f419741b3..61ea18adb1d 100644
--- a/sphinxman/master/api/psi4.core.DPOTRI.html
+++ b/sphinxman/master/api/psi4.core.DPOTRI.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8953d8659eb..5922e40ec2c 100644
--- a/sphinxman/master/api/psi4.core.DPOTRS.html
+++ b/sphinxman/master/api/psi4.core.DPOTRS.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 05bf1cdb7d9..0ba9333e7fd 100644
--- a/sphinxman/master/api/psi4.core.DROT.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1075309dd0d..9e1ebddf859 100644
--- a/sphinxman/master/api/psi4.core.DSBMV.html
+++ b/sphinxman/master/api/psi4.core.DSBMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 12cb83a8a83..4be91f1bc3a 100644
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+++ b/sphinxman/master/api/psi4.core.DSCAL.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 67742e8220b..68d93bd0656 100644
--- a/sphinxman/master/api/psi4.core.DSWAP.html
+++ b/sphinxman/master/api/psi4.core.DSWAP.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9e57e3c1529..e881ca30f15 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5aa425cefd8..629f7f510a0 100644
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+++ b/sphinxman/master/api/psi4.core.DSYMM.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 444741e2ec2..25b5e40500e 100644
--- a/sphinxman/master/api/psi4.core.DSYR.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index add12ce2279..1ab0418e69a 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 78ac4852505..b9e5c44f2fd 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index abb25fb78f4..ba75068e502 100644
--- a/sphinxman/master/api/psi4.core.DSYSV.html
+++ b/sphinxman/master/api/psi4.core.DSYSV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3e8896ea4ae..0ba74debd0c 100644
--- a/sphinxman/master/api/psi4.core.DTBMV.html
+++ b/sphinxman/master/api/psi4.core.DTBMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b7c309a2964..6a6035102e0 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.DTRMM.html b/sphinxman/master/api/psi4.core.DTRMM.html
index 42c626262b8..3f5b0b8a319 100644
--- a/sphinxman/master/api/psi4.core.DTRMM.html
+++ b/sphinxman/master/api/psi4.core.DTRMM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.DTRMV.html b/sphinxman/master/api/psi4.core.DTRMV.html
index f4238a62001..012d0fa2cfe 100644
--- a/sphinxman/master/api/psi4.core.DTRMV.html
+++ b/sphinxman/master/api/psi4.core.DTRMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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.DTRMV.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.DTRSM.html b/sphinxman/master/api/psi4.core.DTRSM.html
index b74b9d53d2b..30a548d816a 100644
--- a/sphinxman/master/api/psi4.core.DTRSM.html
+++ b/sphinxman/master/api/psi4.core.DTRSM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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.DTRSM.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6fbde2fbbe8..19c2ccfa180 100644
--- a/sphinxman/master/api/psi4.core.DTRSV.html
+++ b/sphinxman/master/api/psi4.core.DTRSV.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a70691a634c..37d4ac2a4ef 100644
--- a/sphinxman/master/api/psi4.core.Deriv.html
+++ b/sphinxman/master/api/psi4.core.Deriv.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 803b11cf8d3..fa0ac9624a2 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -251,7 +251,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7772b582e96..31c724e96e4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index da7a6972205..a7dbff02d01 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e2dc8a6c0f7..bcbbce35fa0 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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 Thursday, 08 August 2024 03:24AM.
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -447,7 +447,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -269,7 +269,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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
+++ b/sphinxman/master/api/psi4.core.ElectrostaticInt.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index f50c4b9f656..dc6badf4ba7 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -323,7 +323,7 @@ <h3>Navigation</h3>
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@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -313,7 +313,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -327,7 +327,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3388480ce65..a2ddcc0476f 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.FittingMetric.html b/sphinxman/master/api/psi4.core.FittingMetric.html
index fc3fe22dc90..2049b0fe810 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -323,7 +323,7 @@ <h3>Navigation</h3>
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@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 48260f2abfb..83cea2124b8 100644
--- a/sphinxman/master/api/psi4.core.FragmentType.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c8bdad3a1c4..355febf5ed3 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -473,7 +473,7 @@ <h3>Navigation</h3>
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@@ -487,7 +487,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -373,7 +373,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0e5d86a52d2..e4b83574121 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -990,7 +990,7 @@ <h3>Navigation</h3>
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@@ -1004,7 +1004,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 793601cb7c2..719b2cef662 100644
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -406,7 +406,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -527,7 +527,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -615,7 +615,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -567,7 +567,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -581,7 +581,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -291,7 +291,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index bad52bbd8c8..2fc26e35754 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -283,7 +283,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -326,7 +326,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -340,7 +340,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2d5e5016e20..36871574a89 100644
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+++ b/sphinxman/master/api/psi4.core.Matrix.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -1145,7 +1145,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3ed8b4188a2..dc4d71395ad 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 2a2888e16d1..12d693ad378 100644
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+++ b/sphinxman/master/api/psi4.core.MintsHelper.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -1103,7 +1103,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1117,7 +1117,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1782a4354a2..8c5966b0532 100644
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+++ b/sphinxman/master/api/psi4.core.MoldenWriter.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -1796,7 +1796,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b3fd8c70dcf..113648d0691 100644
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+++ b/sphinxman/master/api/psi4.core.OneBodyAOInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9b9d1b86597..c35a0712558 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d2a7775b25f..47b3863188b 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -465,7 +465,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e910ea40068..9d5145eb007 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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/6f66e7b">1.10a1.dev44</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index beb177a7308..0e9d8e8396b 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
@@ -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/6f66e7b">1.10a1.dev44</a></li>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 24a4150f09e..86c7c21602e 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.ProtoVector.html
+++ b/sphinxman/master/api/psi4.core.ProtoVector.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.PsiReturnType.html
+++ b/sphinxman/master/api/psi4.core.PsiReturnType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.RHF.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3d962101cd0..349f6f25efa 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.RKSFunctions.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.core.RKSFunctions.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.ROHF.html b/sphinxman/master/api/psi4.core.ROHF.html
index 86721dea85b..f6acc803afa 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.ROHF.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 9cb940eec07..80f605d9d24 100644
--- a/sphinxman/master/api/psi4.core.SADGuess.html
+++ b/sphinxman/master/api/psi4.core.SADGuess.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -308,7 +308,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f89d859ed5c..7a9e96e8a57 100644
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+++ b/sphinxman/master/api/psi4.core.SOBasisSet.html
@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 87a213f867e..b65de9b4c74 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -398,7 +398,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 883305cb0ac..b958b365cfa 100644
--- a/sphinxman/master/api/psi4.core.SalcComponent.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 319fe0f448c..68c8ca308c6 100644
--- a/sphinxman/master/api/psi4.core.ShellInfo.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 92c50d56b71..657f757a240 100644
--- a/sphinxman/master/api/psi4.core.Slice.html
+++ b/sphinxman/master/api/psi4.core.Slice.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -397,7 +397,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 16bdd223b1f..4664d5072d3 100644
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+++ b/sphinxman/master/api/psi4.core.TracelessQuadrupoleInt.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index ccc1425855d..552a47f06ff 100644
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+++ b/sphinxman/master/api/psi4.core.TwoBodyAOInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
@@ -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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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8c945c965fb..e8c0949a7f5 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -470,7 +470,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -686,7 +686,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -1660,7 +1660,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 61d9822c31a..3f2e9557b06 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b4e94103d1b..20ffd3088be 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5d29bdcb5ac..eaa9a19ef2c 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f86eae20313..f01877471bf 100644
--- a/sphinxman/master/api/psi4.core.cclambda.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5e23a1ffe18..3cfd3cc988f 100644
--- a/sphinxman/master/api/psi4.core.ccresponse.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 815b7ef3fef..6dba34aa76d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f3a3d372e5b..a1e2c28f2b3 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index bbf87e53fcf..b338989fa80 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c328d5343a4..cc092494e64 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.dmrg.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4ea8659659c..ca34ce7178c 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -253,7 +253,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index fcf9de66b17..b2c058cc4ba 100644
--- a/sphinxman/master/api/psi4.core.dpdfile2.html
+++ b/sphinxman/master/api/psi4.core.dpdfile2.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -253,7 +253,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b8eecb36292..724e3bd0340 100644
--- a/sphinxman/master/api/psi4.core.dummy_einsums.html
+++ b/sphinxman/master/api/psi4.core.dummy_einsums.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.dummy_integratorxx.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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index 42a3be64604..eb7b93f805d 100644
--- a/sphinxman/master/api/psi4.core.fcidump_tei_helper.html
+++ b/sphinxman/master/api/psi4.core.fcidump_tei_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f90b807ff7f..e3e7afb1e90 100644
--- a/sphinxman/master/api/psi4.core.finalize.html
+++ b/sphinxman/master/api/psi4.core.finalize.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.flush_outfile.html b/sphinxman/master/api/psi4.core.flush_outfile.html
index d0ecb6ad10f..16f9bb10ab6 100644
--- a/sphinxman/master/api/psi4.core.flush_outfile.html
+++ b/sphinxman/master/api/psi4.core.flush_outfile.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.get_local_option.html
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b2589deda1b..d2b3027905d 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8929b7de5fa..8b8d6f383c0 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.get_variables.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.get_writer_file_prefix.html
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+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.git_version.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.has_array_variable.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7f2ccea0606..7cda92f7681 100644
--- a/sphinxman/master/api/psi4.core.has_global_option_changed.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.has_local_option_changed.html b/sphinxman/master/api/psi4.core.has_local_option_changed.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
     <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index aefcc4ce05f..a12244ce2d6 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index ddef8ddc0df..4f80cb06afb 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d0e7b4a05a2..f42f70a3ef7 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c2b749a7f90..1440a244f51 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 7774cceb01d..bcc83018ccc 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 a0cc888ec70..5dd261919bc 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_options.html b/sphinxman/master/api/psi4.core.print_options.html
index 9cac18e02c0..1fa1bfa13a6 100644
--- a/sphinxman/master/api/psi4.core.print_options.html
+++ b/sphinxman/master/api/psi4.core.print_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 122fad0d575..f6ee47e4a63 100644
--- a/sphinxman/master/api/psi4.core.print_out.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 874b21bcb75..6afb7a83d04 100644
--- a/sphinxman/master/api/psi4.core.print_variables.html
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 43e2f90cfdd..40a611b0f74 100644
--- a/sphinxman/master/api/psi4.core.psi_top_srcdir.html
+++ b/sphinxman/master/api/psi4.core.psi_top_srcdir.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 774fda68ccb..7f0117955f5 100644
--- a/sphinxman/master/api/psi4.core.psimrcc.html
+++ b/sphinxman/master/api/psi4.core.psimrcc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c463f1f57ae..68b65a62a95 100644
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+++ b/sphinxman/master/api/psi4.core.psio_entry.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d0e3425d544..ca6f4881edb 100644
--- a/sphinxman/master/api/psi4.core.reopen_outfile.html
+++ b/sphinxman/master/api/psi4.core.reopen_outfile.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -206,7 +206,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 352a082d959..4746f8a5031 100644
--- a/sphinxman/master/api/psi4.core.set_variable.html
+++ b/sphinxman/master/api/psi4.core.set_variable.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.test_matrix_dpd_interface.html
+++ b/sphinxman/master/api/psi4.core.test_matrix_dpd_interface.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.timer_on.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.triplet.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4fe8c5d3d69..8adf45c22c5 100644
--- a/sphinxman/master/api/psi4.core.tstart.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e8f26c850f7..c7422b56594 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -595,7 +595,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -469,7 +469,7 @@ <h3>Navigation</h3>
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@@ -483,7 +483,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index d94cfb5a79d..82ac5b8ea1d 100644
--- a/sphinxman/master/api/psi4.driver.ManagedMethodError.html
+++ b/sphinxman/master/api/psi4.driver.ManagedMethodError.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.MissingMethodError.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.OptimizationConvergenceError.html
+++ b/sphinxman/master/api/psi4.driver.OptimizationConvergenceError.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.ParsingError.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 66037d286d3..e2f8639643f 100644
--- a/sphinxman/master/api/psi4.driver.PastureRequiredError.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.PastureRequiredError.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/6f66e7b">1.10a1.dev44</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>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.PastureRequiredError.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 1b25d76a46c..bf564245d4e 100644
--- a/sphinxman/master/api/psi4.driver.PsiException.html
+++ b/sphinxman/master/api/psi4.driver.PsiException.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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     <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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7395c173ae2..8d4d59984d2 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f4baf3ce3d1..a7ead31fd60 100644
--- 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -271,7 +271,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 015187d614c..bd4bf68d728 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 8bc9f9d7727..1bde55d94a0 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.TestComparisonError.html b/sphinxman/master/api/psi4.driver.TestComparisonError.html
index cdc2f1b68aa..3834c415bc1 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.TestComparisonError.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
     <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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 15dba6d639e..984ab0f87e1 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.UpgradeHelper.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
     <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.UpgradeHelper.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.ValidationError.html b/sphinxman/master/api/psi4.driver.ValidationError.html
index 1db4adc8bb2..fd83b3e4a04 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.ValidationError.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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.ValidationError.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f08ad735827..707f6884280 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -211,7 +211,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 45dac866f42..2c86ea7468b 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 754be84de75..d7dde0d32d4 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 c5e331441ea..79828969df4 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ece7eaaf501..91955e846a0 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ad4a40cb43a..397d42196db 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
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+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9d805a60989..0daf841d54b 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 88b3c66fa9b..df0702d841c 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 28d9558140b..1843907fc3e 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 f4b0b037cac..4323cf5db14 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 459488b2670..76034f04c43 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
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+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 7b23d62cf00..2fe5c5d4a94 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/3e8a827">1.10a1.dev45</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/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bad07313c74..9ceab46e0f4 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index fcfcbe91539..c70e068159e 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c15f47e1ed6..76dafd8f31b 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.html b/sphinxman/master/api/psi4.driver.fcidump.html
index 260d43aba39..e7a50b923bc 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 325b2f9ceb7..d4779a468de 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
     <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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 3e00f53480e..981adf549e3 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.freq.html b/sphinxman/master/api/psi4.driver.freq.html
index 75d5d1b8cb1..c0aa10f59ae 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 764365682ae..0f0751472e6 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index be3b613fb0c..0802a9ac049 100644
--- a/sphinxman/master/api/psi4.driver.gdma.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0328d9185d1..6e0b07cd951 100644
--- a/sphinxman/master/api/psi4.driver.get_memory.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ec958f2e799..f93e0a94574 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.gradient.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 09dee1705bc..5ddc6bfb6eb 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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index d2c951ce1d2..ac72874321d 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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index 02f91c8d414..efa7e26fcf2 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c6be225bae6..6619d76be5b 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 91d13a2b617..1967a894a4d 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/3e8a827">1.10a1.dev45</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.message_box.html b/sphinxman/master/api/psi4.driver.message_box.html
index 5bc875ef2f0..0c8945c47a8 100644
--- a/sphinxman/master/api/psi4.driver.message_box.html
+++ b/sphinxman/master/api/psi4.driver.message_box.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -281,7 +281,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -1549,7 +1549,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -276,7 +276,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -512,7 +512,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -286,7 +286,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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--- a/sphinxman/master/api/psi4.driver.p4util.OptionsState.html
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@@ -273,7 +273,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -450,7 +450,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.driver.p4util.all_casings.html
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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--- a/sphinxman/master/api/psi4.driver.p4util.basis_helper.html
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f8364937823..a141f26c2f8 100644
--- a/sphinxman/master/api/psi4.driver.p4util.compare_moldenfiles.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5436db5d5e0..5f9ba45cffd 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.copy_file_to_scratch.html b/sphinxman/master/api/psi4.driver.p4util.copy_file_to_scratch.html
index 9164de9d464..1eecf81321f 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.cubeprop.html b/sphinxman/master/api/psi4.driver.p4util.cubeprop.html
index 776322fd70d..65904345285 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index a389efb331b..51288d76641 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f9dbf9ec2a1..ec6f456e95b 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2cd6f09345e..cf72bf9a38f 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.drop_duplicates.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 22d24d67848..83a0ec6db1c 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 888d9b9c38c..c32037bd6c0 100644
--- a/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -231,7 +231,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 b28cd611064..872adfec145 100644
--- a/sphinxman/master/api/psi4.driver.p4util.fcidump_from_file.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 5c9a2ab8f9a..f067e21a50f 100644
--- a/sphinxman/master/api/psi4.driver.p4util.find_approximate_string_matches.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 7fb6b10563b..3a0a255c958 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 38b5506bd48..8e8d5d12177 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 4ff663afd8a..2dcbdf434b3 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 1a4d4e8e984..de11a37a150 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 dce44257f84..9f398ed1866 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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">'11584'</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">'11609'</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 b29e06df7cb..31322bd057f 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 17304aaaade..d9a4ebd8e9b 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 777334823c4..9d002563abf 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.hold_options_state.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -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.p4util.hold_options_state.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4d779f75d0c..8b81ecaf9fd 100644
--- a/sphinxman/master/api/psi4.driver.p4util.oeprop.html
+++ b/sphinxman/master/api/psi4.driver.p4util.oeprop.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -224,7 +224,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.pcm_helper.html
+++ b/sphinxman/master/api/psi4.driver.p4util.pcm_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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index b54dfdc2918..0779da43841 100644
--- a/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
+++ b/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.prefactor_ecd.html b/sphinxman/master/api/psi4.driver.p4util.prefactor_ecd.html
index 03966a1162e..a502600a1b9 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.prefactor_ecd.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.prefactor_opa.html b/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
index ebb087179c8..084d19df234 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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.prefactor_opa.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 4e74919fbd1..e20a6080937 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 8ece8db61b3..bf4e8c33269 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index eeb6ba59632..796f9599efb 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e1dcab188ed..f7d4632879f 100644
--- a/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html
+++ b/sphinxman/master/api/psi4.driver.p4util.sanitize_method.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 15c9e5cbd52..95a4ae002d0 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_module_options.html b/sphinxman/master/api/psi4.driver.p4util.set_module_options.html
index 3d6c66e9650..1d7cde5c91c 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
     <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>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 c441f8ef361..23d2e37b875 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -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>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e69c723a187..97f040755bd 100644
--- a/sphinxman/master/api/psi4.driver.p4util.spectrum.html
+++ b/sphinxman/master/api/psi4.driver.p4util.spectrum.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -281,7 +281,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 88c5c6f97b8..15db381541d 100644
--- a/sphinxman/master/api/psi4.driver.p4util.state_to_atomicinput.html
+++ b/sphinxman/master/api/psi4.driver.p4util.state_to_atomicinput.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ed6afa3f368..5f328f07de0 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -224,7 +224,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.prop.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index a96a683fffa..7faa28e5ea0 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0bd4c10f712..36375370d2f 100644
--- a/sphinxman/master/api/psi4.driver.qcdb.vib.compare_vibinfos.html
+++ b/sphinxman/master/api/psi4.driver.qcdb.vib.compare_vibinfos.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -332,7 +332,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9037836b24c..e80bf8f5cb9 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -226,7 +226,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6612b8e595e..536f8c2a153 100644
--- a/sphinxman/master/api/psi4.driver.sanitize_method.html
+++ b/sphinxman/master/api/psi4.driver.sanitize_method.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7920823012f..98b2312f5f8 100644
--- a/sphinxman/master/api/psi4.driver.sanitize_name.html
+++ b/sphinxman/master/api/psi4.driver.sanitize_name.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 58bfd4a369f..882f6d96fb2 100644
--- a/sphinxman/master/api/psi4.driver.scf_helper.html
+++ b/sphinxman/master/api/psi4.driver.scf_helper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.scf_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 4aa954b39d3..422f301dfd8 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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.scf_wavefunction_factory.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 bf5f2e14aa3..48de2b90343 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_module_options.html b/sphinxman/master/api/psi4.driver.set_module_options.html
index 443b719ef79..c87856743b9 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 80fabe1e199..0a8233adb1e 100644
--- a/sphinxman/master/api/psi4.driver.set_options.html
+++ b/sphinxman/master/api/psi4.driver.set_options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -230,7 +230,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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         <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 667d37285ea..b749c247d8c 100644
--- a/sphinxman/master/api/psi4.driver.tdscf.html
+++ b/sphinxman/master/api/psi4.driver.tdscf.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7f9c8fe2dd5..808a8febf3b 100644
--- 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 b63373dfdbc..b96abd14a9b 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -335,7 +335,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index e4610fc3bf9..e5638358a42 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c79febbd721..3696e89f4d3 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/ccdensity__opdm_relax.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f23df65cb74..3bc7ec2309f 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index f48bc2d517c..85492fb1b2c 100644
--- a/sphinxman/master/autodir_options_c/ccresponse__wfn.html
+++ b/sphinxman/master/autodir_options_c/ccresponse__wfn.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 76890a67960..f4d6641e9b3 100644
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+++ 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/cctransort__cachelevel.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/cctransort__delete_tei.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index de2df506ffa..45e09aef295 100644
--- a/sphinxman/master/autodir_options_c/cctransort__run_cctransort.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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 Wednesday, 07 August 2024 10:14PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index eb5d5765d59..f5ea2e63fb1 100644
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 29247a74f3e..eae6490e263 100644
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 3501bfe73f1..f31a1a00c09 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 37e8649f53d..48544f0349e 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 022523c910b..0e17b321e4b 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4c859ba00db..b55d4a60cc3 100644
--- a/sphinxman/master/autodir_options_c/cphf__print.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f7c11e08612..323552abc51 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_incore.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_incore.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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 9cd74125b6b..2f9c66d5081 100644
--- a/sphinxman/master/autodir_options_c/ddx__ddx_lmax.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_lmax.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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_logfile.html b/sphinxman/master/autodir_options_c/ddx__ddx_logfile.html
index 6db10f795b8..f9539bd971a 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 @@
     <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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_maxiter.html b/sphinxman/master/autodir_options_c/ddx__ddx_maxiter.html
index a21420f5755..dd337e80436 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_model.html b/sphinxman/master/autodir_options_c/ddx__ddx_model.html
index 81bcf564d18..5235d7eb168 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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     <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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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_model.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/ddx__ddx_model.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_n_lebedev.html b/sphinxman/master/autodir_options_c/ddx__ddx_n_lebedev.html
index 88cd86cf553..ab6601cb23b 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 @@
     <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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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.html b/sphinxman/master/autodir_options_c/ddx__ddx_radii.html
index 91535ef095f..6d9444e64e0 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 @@
     <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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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>
     <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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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--- a/sphinxman/master/autodir_options_c/detci__mixed4.html
+++ b/sphinxman/master/autodir_options_c/detci__mixed4.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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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">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index f60bdafd5c1..dce692de4a8 100644
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 7d6f4f62268..ceb858ca51d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index a8f86f70e5b..4bc069671f5 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 39b8c048dd9..9ea22b8f7c2 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f4229ed96f0..282397f78d7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index bb4f76810cb..ddddd4b74e8 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 7eae4f62d2a..43847124de7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/3e8a827">1.10a1.dev45</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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/efp__efp_ind_damping.html b/sphinxman/master/autodir_options_c/efp__efp_ind_damping.html
index 7a6d72401a5..d64a065f14b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 23a7e5f3ec1..e3d875e16bf 100644
--- a/sphinxman/master/autodir_options_c/fisapt__minao_basis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4fae8ad7587..c77125913fd 100644
--- a/sphinxman/master/autodir_options_c/fisapt__ssapt0_scale.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dfd248bdc1f..e57d3ff046e 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/fnocc__brueckner_maxiter.html b/sphinxman/master/autodir_options_c/fnocc__brueckner_maxiter.html
index ee4b672ae03..13b10416256 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/fnocc__cc_scale_os.html b/sphinxman/master/autodir_options_c/fnocc__cc_scale_os.html
index fa1347f4f92..402f3f60fc7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_scale_ss.html b/sphinxman/master/autodir_options_c/fnocc__cc_scale_ss.html
index a6c28e71395..c6d3a0c8c8f 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 91c814a283c..7f63bbe1ddd 100644
--- a/sphinxman/master/autodir_options_c/fnocc__run_cepa.html
+++ b/sphinxman/master/autodir_options_c/fnocc__run_cepa.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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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__run_cepa.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/fnocc__run_mp2.html b/sphinxman/master/autodir_options_c/fnocc__run_mp2.html
index 5777894ed13..243e4d9d2e9 100644
--- a/sphinxman/master/autodir_options_c/fnocc__run_mp2.html
+++ b/sphinxman/master/autodir_options_c/fnocc__run_mp2.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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__run_mp2.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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__run_mp2.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 93f0254f1ff..d55656f4fb8 100644
--- a/sphinxman/master/autodir_options_c/fnocc__run_mp3.html
+++ b/sphinxman/master/autodir_options_c/fnocc__run_mp3.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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__run_mp3.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/fnocc__run_mp3.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__run_mp4.html b/sphinxman/master/autodir_options_c/fnocc__run_mp4.html
index b26da7919d7..2eecd0f8c91 100644
--- a/sphinxman/master/autodir_options_c/fnocc__run_mp4.html
+++ b/sphinxman/master/autodir_options_c/fnocc__run_mp4.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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__run_mp4.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/fnocc__run_mp4.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b091676229d..7f1157dadef 100644
--- a/sphinxman/master/autodir_options_c/fnocc__scs_ccsd.html
+++ b/sphinxman/master/autodir_options_c/fnocc__scs_ccsd.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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__scs_ccsd.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/fnocc__scs_ccsd.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__scs_cepa.html b/sphinxman/master/autodir_options_c/fnocc__scs_cepa.html
index 918edfc3401..344d30292ee 100644
--- a/sphinxman/master/autodir_options_c/fnocc__scs_cepa.html
+++ b/sphinxman/master/autodir_options_c/fnocc__scs_cepa.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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__scs_cepa.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/fnocc__scs_cepa.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__scs_mp2.html b/sphinxman/master/autodir_options_c/fnocc__scs_mp2.html
index dde826d48cc..bb98ae4568a 100644
--- a/sphinxman/master/autodir_options_c/fnocc__scs_mp2.html
+++ b/sphinxman/master/autodir_options_c/fnocc__scs_mp2.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 2f03a141269..fcb93d6d353 100644
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/mcscf__docc.html
+++ b/sphinxman/master/autodir_options_c/mcscf__docc.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__maxiter.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/mcscf__rotate_mo_irrep.html b/sphinxman/master/autodir_options_c/mcscf__rotate_mo_irrep.html
index 2bfa46518aa..3298b91c6a6 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
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     <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__rotate_mo_irrep.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 53a116c959e..8db8e8f771a 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__socc.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/mcscf__wfn_sym.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 8e8a63d91b2..b7d7e756fec 100644
--- a/sphinxman/master/autodir_options_c/mints__basis.html
+++ b/sphinxman/master/autodir_options_c/mints__basis.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/mints__basis.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/mints__omega_erf.html b/sphinxman/master/autodir_options_c/mints__omega_erf.html
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+++ b/sphinxman/master/autodir_options_c/mints__omega_erf.html
@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -335,7 +335,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -416,7 +416,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -642,7 +642,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -698,7 +698,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -283,7 +283,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -472,7 +472,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -374,7 +374,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -492,7 +492,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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--- a/sphinxman/master/autodir_options_c/module__mcscf.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -492,7 +492,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -327,7 +327,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -854,7 +854,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -1070,7 +1070,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -263,7 +263,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/occ__cc_maxiter.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__ccl_energy.html
+++ b/sphinxman/master/autodir_options_c/occ__ccl_energy.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__cepa_ss_scale.html b/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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/occ__cepa_ss_scale.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ac84e07d864..86c0f156ce0 100644
--- a/sphinxman/master/autodir_options_c/occ__mo_maxiter.html
+++ b/sphinxman/master/autodir_options_c/occ__mo_maxiter.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/occ__mo_read.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/occ__mo_step_max.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__mo_write.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
 
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</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 Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f3d8c5a8914..c65b75573b6 100644
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/sapt__nat_orbs_t3.html b/sphinxman/master/autodir_options_c/sapt__nat_orbs_t3.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6c4080d6398..0dd061120f5 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 97e05feb383..88db76b8b94 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 806cd45a7d6..2da887f1aa7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 87a1854a4af..c50d4ea22db 100644
--- 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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__basis_guess.html b/sphinxman/master/autodir_options_c/scf__basis_guess.html
index 79f4cd56279..ce9acd7010f 100644
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+++ b/sphinxman/master/autodir_options_c/scf__basis_guess.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b2c01f0b85f..90519795c50 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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_grac_beta.html b/sphinxman/master/autodir_options_c/scf__dft_grac_beta.html
index 32ebf24a067..6aa02b66c0c 100644
--- a/sphinxman/master/autodir_options_c/scf__dft_grac_beta.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 77dbd3e7201..ed2b94c8c39 100644
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3cb377a62e0..3eac9a63b57 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cab6e28c3a6..86e7af830ce 100644
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+++ b/sphinxman/master/autodir_options_c/scf__frac_diis.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__frac_occ.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__frac_start.html b/sphinxman/master/autodir_options_c/scf__frac_start.html
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+++ b/sphinxman/master/autodir_options_c/scf__frac_start.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__guess.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/scf__incfock.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 2ce0392ad50..51a129de74e 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index b3898a13ee3..395d8be622a 100644
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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__local_convergence.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__max_attempts.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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--- a/sphinxman/master/autodir_options_c/scf__print_mos.html
+++ b/sphinxman/master/autodir_options_c/scf__print_mos.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__process_grid.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__r_points.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/scf__radius.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1295eecd193..c7c3cf5a71c 100644
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@@ -47,7 +47,7 @@
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1f93f08a7a3..80d13a30e32 100644
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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/scf__sapt.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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>
@@ -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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4bddcc709a7..3ecb57ab5bb 100644
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8ccb01c8fef..28f11142baa 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4f9e0b8b782..77dc4dee1a0 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 84f6d3c40c5..d804605709c 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1d47d7941e0..f06009ad14d 100644
--- a/sphinxman/master/autodir_options_c/scf__scf_properties.html
+++ b/sphinxman/master/autodir_options_c/scf__scf_properties.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3ff9a123579..8a4ed4f6871 100644
--- a/sphinxman/master/autodir_options_c/scf__scf_subtype.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4d6aa3fffc1..96dcb83288b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/edit/master/doc/sphinxman/source/autodir_options_c/scf__solver_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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     <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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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__solver_n_root.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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__solver_n_root.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index ab40f6387d9..91df232a338 100644
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+++ b/sphinxman/master/autodir_options_c/scf__solver_roots_per_irrep.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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__soscf_print.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c045223e40b..929c5d229e5 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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__soscf_start_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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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__tdscf_states.html
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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/6f66e7b">1.10a1.dev44</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></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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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -330,7 +330,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -212,7 +212,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -306,7 +306,7 @@ <h3>Navigation</h3>
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@@ -211,7 +211,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -261,7 +261,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -258,7 +258,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=b2221a65"></script>
+    <script src="../_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -201,7 +201,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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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@@ -187,7 +187,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -202,7 +202,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -2225,7 +2225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -6017,7 +6017,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -869,7 +869,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -3605,7 +3605,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -2161,7 +2161,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -1565,7 +1565,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -3821,7 +3821,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -953,7 +953,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -1315,7 +1315,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -7684,7 +7684,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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     <div class="footer" role="contentinfo">
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -1702,7 +1702,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -217,7 +217,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -1567,7 +1567,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -1154,7 +1154,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -655,7 +655,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/code_style.html b/sphinxman/master/code_style.html
index bad93e17085..bf9eb5e5b84 100644
--- a/sphinxman/master/code_style.html
+++ b/sphinxman/master/code_style.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/code_style.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1c6f0bf3428..c0176bf36ee 100644
--- a/sphinxman/master/conda.html
+++ b/sphinxman/master/conda.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -651,7 +651,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -665,7 +665,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/cppe.html b/sphinxman/master/cppe.html
index 4b5aa59e3e7..f747baa5dbe 100644
--- a/sphinxman/master/cppe.html
+++ b/sphinxman/master/cppe.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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/cubeprop.html b/sphinxman/master/cubeprop.html
index 23cf87f6196..3347580bb15 100644
--- a/sphinxman/master/cubeprop.html
+++ b/sphinxman/master/cubeprop.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/cubeprop.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -531,7 +531,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/customizing.html b/sphinxman/master/customizing.html
index 7aa13b44b2e..b9a6b190fbc 100644
--- a/sphinxman/master/customizing.html
+++ b/sphinxman/master/customizing.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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/db.html b/sphinxman/master/db.html
index 76049532a4c..5033afa9e00 100644
--- a/sphinxman/master/db.html
+++ b/sphinxman/master/db.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/db.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -1166,7 +1166,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1180,7 +1180,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/dct.html b/sphinxman/master/dct.html
index 9742cede19c..eb7d49fc9ba 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -519,7 +519,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -533,7 +533,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 5e05952cef2..c9d6d500599 100644
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -688,7 +688,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -622,7 +622,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/dft.html
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -1561,7 +1561,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ba87f949aba..39b3e38f66e 100644
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4795445b188..c9e870b680e 100644
--- a/sphinxman/master/dftnl.html
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f2803d73218..ca14808347a 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b136a266cce..a7f9a667e2f 100644
--- a/sphinxman/master/dkh.html
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -363,7 +363,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -358,7 +358,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5038b3626fa..89c399dfa6d 100644
--- a/sphinxman/master/documentation.html
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -374,7 +374,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cc813c1f3a2..539a6aae9fd 100644
--- a/sphinxman/master/ecpint.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -304,7 +304,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7e16efe4cfa..1a3ee9e3a9c 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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diff --git a/sphinxman/master/external.html b/sphinxman/master/external.html
index 842e9777586..696cf5042d1 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -948,7 +948,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f9b2c24695a..f5ac4714450 100644
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+++ b/sphinxman/master/external_apis.html
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -490,7 +490,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -287,7 +287,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index b1ddc2582cf..5c65e85ba25 100644
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -1316,7 +1316,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/freq.html
+++ b/sphinxman/master/freq.html
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -749,7 +749,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 98166881747..e54cfd21ceb 100644
--- a/sphinxman/master/gau2grid.html
+++ b/sphinxman/master/gau2grid.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -296,7 +296,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -354,7 +354,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 90425d7c2f2..66b005734d8 100644
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -437,7 +437,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ee2bf7df405..7d2a511f0e4 100644
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@@ -10072,7 +10072,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -462,7 +462,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -222,7 +222,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d8f13be1305..29e03821f25 100644
--- a/sphinxman/master/intercalls.html
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -280,7 +280,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/interfacing.html b/sphinxman/master/interfacing.html
index 0392fc0255c..394b0739c79 100644
--- a/sphinxman/master/interfacing.html
+++ b/sphinxman/master/interfacing.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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/interfacing.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -361,7 +361,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/introduction.html b/sphinxman/master/introduction.html
index 48d25a381d5..b3ca26fe37e 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -2877,7 +2877,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 e7e50e24350..0dd832cecee 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -505,7 +505,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 0e2c3556f60..9133ccdd009 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -328,7 +328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/libxc.html b/sphinxman/master/libxc.html
index f0b14024cbd..d36e7d97472 100644
--- a/sphinxman/master/libxc.html
+++ b/sphinxman/master/libxc.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -284,7 +284,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -298,7 +298,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/manage_addon.html b/sphinxman/master/manage_addon.html
index a4667be9153..be5b45f5637 100644
--- a/sphinxman/master/manage_addon.html
+++ b/sphinxman/master/manage_addon.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -468,7 +468,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/manage_git.html b/sphinxman/master/manage_git.html
index 4c91d165078..aafcc95b857 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -524,7 +524,7 @@ <h3>Navigation</h3>
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     <div class="footer" role="contentinfo">
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <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/opt.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -1563,7 +1563,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1577,7 +1577,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2fa7df1d7ed..5b415744df2 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -458,7 +458,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -472,7 +472,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 81ab2492f9f..b334393040e 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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@@ -1120,7 +1120,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1134,7 +1134,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/pcmsolver.html b/sphinxman/master/pcmsolver.html
index a45874ef815..cf79deff6f2 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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@@ -411,7 +411,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -425,7 +425,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 ce49936c9b5..471c2012ef5 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -278,7 +278,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/plugin_psi4fockci.html b/sphinxman/master/plugin_psi4fockci.html
index 44a3cb1ef77..e13fc56f40a 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/edit/master/doc/sphinxman/source/plugin_psi4fockci.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -277,7 +277,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/plugin_snsmp2.html b/sphinxman/master/plugin_snsmp2.html
index 7b61d54f149..65cfb2fa551 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -282,7 +282,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 03acf2e28fa..2924e3e3f17 100644
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -404,7 +404,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d390e533edc..40e52a2197a 100644
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -434,7 +434,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7e6fa04a5bd..21ab99fd059 100644
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -610,7 +610,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index caef785293b..8a0f98a5fa7 100644
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/prog_debug_profile.html
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -208,7 +208,7 @@ <h3>Navigation</h3>
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-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7a2bf93abb5..6e720744669 100644
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+++ b/sphinxman/master/prog_integrals.html
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -250,7 +250,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/prog_setup.html
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 444f958997a..cb50de682a2 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -290,7 +290,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 f17a12fd84a..28feedf8801 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_tour.html b/sphinxman/master/prog_tour.html
index 234e20d645c..d80f08e4233 100644
--- a/sphinxman/master/prog_tour.html
+++ b/sphinxman/master/prog_tour.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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_ways_to_add.html b/sphinxman/master/prog_ways_to_add.html
index b64fff06791..17f10336281 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/prog_ways_to_add.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -295,7 +295,7 @@ <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/prog_ways_to_add.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -309,7 +309,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       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 b3a76955e6f..b4830393245 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/prog_welcome.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/prop.html b/sphinxman/master/prop.html
index afe1dce3a43..33c7f6f86f6 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -339,7 +339,7 @@ <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/prop.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -353,7 +353,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/psi4api.html b/sphinxman/master/psi4api.html
index 1c87da2df61..89d62821df9 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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -1609,7 +1609,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
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@@ -585,7 +585,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -367,7 +367,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -259,7 +259,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -846,7 +846,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index b6435ab26c0..43c08e2ba23 100644
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+++ b/sphinxman/master/quickaddalias.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -292,7 +292,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 3b69333b71b..977b9376a4f 100644
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 26032bdd7a3..3a0c81c446e 100644
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -1629,7 +1629,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -1413,7 +1413,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/search.html b/sphinxman/master/search.html
index 20762d93862..9a4ee2af366 100644
--- a/sphinxman/master/search.html
+++ b/sphinxman/master/search.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -99,7 +99,7 @@ <h3>Navigation</h3>
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@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
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index 1f9883cc869..7cf898a22fd 100644
--- a/sphinxman/master/searchindex.js
+++ b/sphinxman/master/searchindex.js
@@ -1 +1 @@
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"CPHF": [[1208, null]], "CPHF_MEM_SAFETY_FACTOR": [[715, null], [1208, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1030, null], [1219, "cphf-r-convergence"], [1231, "cphf-r-convergence"], [1440, null], [1818, "cphf-r-convergence"]], "CPHF_TASKS": [[716, null], [1208, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1109, null], [1222, "cubeprop-basis-functions"], [1731, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1110, null], [1222, "cubeprop-filepath"], [1731, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1111, null], [1222, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1112, null], [1222, "cubeprop-orbitals"], [1731, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1113, null], [1222, "cubeprop-tasks"], [1731, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1031, null], [1114, null], [1219, "cubic-basis-tolerance"], [1222, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": 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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.": [[1720, "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": [[1724, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1798, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1818, "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>": [[1762, "citing-psifour"]], "Class Inheritance Diagram": [[1808, "class-inheritance-diagram"], [1808, "id3"], [1808, "id6"]], "Classes": [[1808, "classes"], [1808, "id2"], [1808, "id5"]], "Clone from GitHub Repository": [[1718, "clone-from-github-repository"]], "Code style conventions": [[1728, null]], "Collect documentation snapshot": [[1769, "collect-documentation-snapshot"]], "Collect new authors": [[1769, "collect-new-authors"]], "Command Line Options": [[1748, "command-line-options"]], "Comments": [[1785, "comments"]], "Community Code of Conduct": [[1792, null]], "Comparison Functions": [[2, "comparison-functions"]], "Compiling and Installing from Source": [[1719, null]], "Complete Basis Set": [[1721, null]], "Completely new methods": [[1804, "completely-new-methods"]], "CompositeJK": [[18, null]], "Computations with Mid-bonds": [[1818, "computations-with-mid-bonds"]], "Conda Binary Distribution": [[1729, null]], "Conda Binary Package": [[1718, "conda-binary-package"]], "Configuration Interaction (CI)": [[1762, "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": [[1717, "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": [[1717, "configuring-building-and-installing-psifour-via-source"]], "Constrained Optimizations": [[1783, "constrained-optimizations"]], "Contents:": [[1758, null]], "Conventional (Non-OO) Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1779, "conventional-non-oo-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Convergence Control": [[1227, "convergence-control"]], "Convergence Control/Stabilization": [[1232, "convergence-control-stabilization"]], "Convergence Criteria": [[1783, "convergence-criteria"]], "Convergence Problems": [[1779, "convergence-problems"]], "Convergence Stabilization": [[1819, "convergence-stabilization"]], "Convergence and Algorithm Defaults": [[1819, "convergence-and-algorithm-defaults"]], "ConvergenceError": [[267, null]], "Coordinates": [[1814, "coordinates"]], "CorrelationFactor": [[19, null]], "CorrelationTable": [[20, null]], "Coupled Cluster (CC)": [[1762, "coupled-cluster-cc"]], "Coupled electron pair approximation": [[1752, "coupled-electron-pair-approximation"]], "Creating New Plugins": [[1789, null]], "Creating a Database": [[1816, null]], "Creating a New Plugin": [[1789, "creating-a-new-plugin"]], "Creating a New Plugin Using a Conda Pre-compiled Binary": [[1789, "creating-a-new-plugin-using-a-conda-pre-compiled-binary"]], "Cube File Visualization with PyMol": [[1751, "cube-file-visualization-with-pymol"]], "CubeProperties": [[21, null]], "Cubeprop Tasks": [[1731, "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>": [[1723, "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>": [[1780, "id2"]], "Customization: Adding Simple Extensions": [[1732, null]], "DAMPING_CONVERGENCE": [[1232, "damping-convergence"], [1496, null]], "DAMPING_FACTOR_INDUCED": [[1229, "damping-factor-induced"], [1385, null]], "DAMPING_FACTOR_MULTIPOLE": [[1229, "damping-factor-multipole"], [1386, null]], "DAMPING_PERCENTAGE": [[730, null], [1209, "damping-percentage"], [1230, "damping-percentage"], [1232, "damping-percentage"], [1403, null], [1497, null]], "DAMP_INDUCED": [[1229, "damp-induced"], [1383, null]], "DAMP_MULTIPOLE": [[1229, "damp-multipole"], [1384, null]], "DASUM": [[22, null]], "DAXPY": [[23, null]], "DCOPY": [[24, null]], "DCT": [[1209, null], [1652, null]], "DCT: Density Cumulant Theory": [[1734, null]], "DCT_FUNCTIONAL": [[731, null], [1209, "dct-functional"]], "DCT_GUESS": [[732, null], [1209, "dct-guess"]], "DCT_TYPE": [[733, null], [1209, "dct-type"]], "DDOT": [[25, null]], "DDX": [[1118, null], [1210, null], 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"how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1767, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1767, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1767, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1719, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1767, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1767, "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": [[1727, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1719, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1719, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1719, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1719, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1719, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1728, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1728, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1729, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1729, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1729, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1719, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1766, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1767, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1766, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1791, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1791, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1791, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1719, "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}": [[1718, "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": [[1719, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1719, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1719, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1719, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1719, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1719, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1719, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1719, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1728, "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": [[1719, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1719, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1719, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1719, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1719, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1719, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1719, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1719, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1729, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1719, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1719, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1719, "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": [[1766, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1729, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1719, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1719, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1719, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1791, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1739, "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>": [[1681, null], [1739, "id5"]], "I-SAPT: A Representative Example": [[1751, "i-sapt-a-representative-example"]], "I. Basic Input Structure": [[1809, "I.-Basic-Input-Structure"]], "ICORE": [[838, null], [1211, "icore"], [1736, "icore"]], "IDAMAX": [[86, null]], "II. Running a Basic Hartree-Fock Calculation": [[1809, "II.-Running-a-Basic-Hartree-Fock-Calculation"]], "III. Geometry Optimization and Vibrational Frequency Analysis": [[1809, "III.-Geometry-Optimization-and-Vibrational-Frequency-Analysis"]], "INCFOCK": [[1232, "incfock"], [1564, null]], "INCFOCK_CONVERGENCE": [[1232, "incfock-convergence"], [1565, null]], "INCFOCK_FULL_FOCK_EVERY": [[1232, "incfock-full-fock-every"], [1566, null]], "INDUCED_CONVERGENCE": [[1229, "induced-convergence"], [1387, null], [1730, "induced-convergence"]], "INTCOS_GENERATE_EXIT": [[1227, "intcos-generate-exit"], [1333, null]], "INTEGRAL_CUTOFF": [[928, null], [1214, "integral-cutoff"]], "INTEGRAL_PACKAGE": [[1130, null], [1222, "integral-package"]], "INTERFRAGMENT_CONNECT": [[1227, "interfragment-connect"], [1340, null]], "INTERFRAG_COLLINEAR_TOL": [[1227, "interfrag-collinear-tol"], [1334, null]], "INTERFRAG_COORDS": [[1227, "interfrag-coords"], [1335, null]], "INTERFRAG_DIST_INV": [[1227, "interfrag-dist-inv"], [1336, null]], "INTERFRAG_HESS": [[1227, "interfrag-hess"], [1337, null]], "INTERFRAG_MODE": [[1227, "interfrag-mode"], [1338, null]], "INTERFRAG_STEP_LIMIT": [[1227, "interfrag-step-limit"], [1339, null]], "INTERNAL_ROTATIONS": [[1184, null], [1223, "internal-rotations"]], "INTRAFRAG_HESS": [[1227, "intrafrag-hess"], [1341, null]], "INTRAFRAG_STEP_LIMIT": [[1227, "intrafrag-step-limit"], [1342, null]], "INTRAFRAG_STEP_LIMIT_MAX": [[1227, "intrafrag-step-limit-max"], [1343, null]], "INTRAFRAG_STEP_LIMIT_MIN": [[1227, "intrafrag-step-limit-min"], [1344, null]], "INTS_TOLERANCE": [[416, null], [741, null], [906, null], [1054, null], [1199, "ints-tolerance"], [1209, "ints-tolerance"], [1213, "ints-tolerance"], [1219, "ints-tolerance"], [1225, "ints-tolerance"], [1231, "ints-tolerance"], [1232, "ints-tolerance"], [1235, null], [1453, null], [1567, null], [1818, "ints-tolerance"], [1818, "id26"]], "IO": [[87, null]], "IOManager": [[88, null]], "IP Fitting": [[1738, "ip-fitting"]], "IP_POLES": [[1226, "ip-poles"], [1265, null]], "IRC_DIRECTION": [[1227, "irc-direction"], [1345, null]], "IRC_POINTS": [[1227, "irc-points"], [1346, null]], "IRC_STEP_SIZE": [[1227, "irc-step-size"], [1347, null]], "ISOTROPIC_POL": [[1229, "isotropic-pol"], [1388, null], [1730, "isotropic-pol"]], "ISTOP": [[839, null], [1211, "istop"]], "IV. Analysis of Intermolecular Interactions": [[1809, "IV.-Analysis-of-Intermolecular-Interactions"]], "Important BLAS Routines": [[1791, "important-blas-routines"]], "Important Lapack Routines": [[1791, "important-lapack-routines"]], "Important User Changes from cpp-optking": [[1783, "important-user-changes-from-cpp-optking"]], "InPsight": [[324, null]], "Incorporating code into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1805, "incorporating-code-into-psifour"]], "Initial Guess": [[1819, "initial-guess"]], "Initialize release branch": [[1769, "initialize-release-branch"]], "Input": [[1743, "input"], [1756, "input"]], "Inputting effective core potentials (ECPs)": [[1711, "inputting-effective-core-potentials-ecps"]], "Installation": [[1, "installation"], [1724, "installation"], [1727, "installation"], [1730, "installation"], [1735, "installation"], [1740, "installation"], [1743, "installation"], [1746, "installation"], [1754, "installation"], [1755, "installation"], [1756, "installation"], [1763, "installation"], [1764, "installation"], [1765, "installation"], [1773, "installation"], [1784, "installation"], [1786, "installation"], [1787, "installation"], [1788, "installation"], [1820, "installation"]], "Installation and Runtime Configuration": [[1748, null]], "Installing BrianQC": [[1716, "installing-brianqc"]], "Installing Sphinx": [[1745, "installing-sphinx"]], "Instantiating integral objects": [[1798, "instantiating-integral-objects"]], "IntVector": [[89, null]], "Integral consuming technologies": [[1804, "integral-consuming-technologies"]], "Integral-Direct Density-Fitted Coulomb Construction": [[1819, "integral-direct-density-fitted-coulomb-construction"]], "IntegralFactory": [[90, null]], "IntegralTransform": [[91, null]], "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1798, 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>": [[1796, null]], "Interface Details": [[1773, "interface-details"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1724, null]], "Interface to CPPE by M. Scheurer": [[1730, null]], "Interface to CheMPS2 by S. Wouters": [[1727, null]], "Interface to DFTD3 by S. Grimme": [[1740, null]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1743, null]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1756, null]], "Interface to GeomeTRIC": [[1783, "interface-to-geometric"]], "Interface to LIBEFP by I. Kaliman": [[1763, null]], "Interface to LibECPInt by R. Shaw": [[1746, null]], "Interface to Libint by E. Valeev": [[1764, null]], "Interface to Libxc by M. A. L. Marques": [[1765, null]], "Interface to MRCC by M. K\u00e1llay": [[1773, null]], "Interface to Molden \u2014 molden()": [[1772, null]], "Interface to NumPy": [[1778, null]], "Interface to PCMSolver by R. Di Remigio": [[1784, null]], "Interface to SIMINT by B. Pritchard": [[1820, 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": [[1735, null]], "Interface to gCP by S. Grimme": [[1755, null]], "Interface to gau2grid by D. G. A. Smith": [[1754, null]], "Interface to programs through FCHK files \u2014 fchk()": [[1750, null]], "Interface to the BrianQC GPU module by the BrianQC team": [[1716, null]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1761, null]], "Interfacing with <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1795, "interfacing-with-psifour"]], "Interpreting SAPT Results": [[1818, "interpreting-sapt-results"]], "Introduction": [[1731, "introduction"], [1737, "introduction"], [1744, "introduction"], [1762, null], [1779, "introduction"], [1798, "introduction"], [1819, "introduction"], [1822, "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>": [[1799, null]], "IrreducibleRepresentation": [[92, null]], "Isotopic Substitution": [[1814, "isotopic-substitution"]], "Iterative Algorithms": [[1734, "iterative-algorithms"]], "Iterative solver parameters": [[1735, "iterative-solver-parameters"]], "JK": [[93, null]], "JOBTYPE": [[517, null], [1203, "jobtype"]], "JSCH": [[1673, "jsch"], [1733, "jsch"]], "JSON": [[1702, null]], "Job Control Keywords": [[1813, "job-control-keywords"]], "KIND": [[1, "kind"], [404, null], [1198, "kind"]], "Keywords": [[401, "keywords"], [1716, "keywords"], [1731, "keywords"], [1743, "keywords"], [1817, "keywords"], [1824, "keywords"]], "Keywords by Alpha": [[1685, null]], "Keywords by Module": [[1686, null]], "Keywords for CPPE": [[1730, "keywords-for-cppe"]], "Keywords for PCMSolver": [[1784, "keywords-for-pcmsolver"]], "Keywords for adcc": [[1, "keywords-for-adcc"]], "KineticInt": [[94, null]], "Known limitations": [[1822, "known-limitations"]], "LAPACK Wrappers": [[1791, "lapack-wrappers"]], "LEVEL_SHIFT": [[929, null], [1185, null], [1214, 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"LS_THC_WEIGHTS_TOLERANCE": [[1138, null], [1222, "ls-thc-weights-tolerance"]], "LaplaceDenominator": [[96, null]], "Larger Calculations": [[1723, "larger-calculations"]], "Levels of truncation for diffuse functions in standard basis sets": [[1714, "id16"]], "LibOptions: globals, locals, has_changed and all that": [[1782, null]], "LibXCFunctional": [[97, null]], "License": [[1762, "license"]], "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1791, null]], "Linear Exchange": [[1819, "linear-exchange"]], "Linear Response (CCLR) Calculations": [[1723, "linear-response-cclr-calculations"]], "Lineshape": [[325, null]], "Link Orbital Partitioning in I-SAPT": [[1751, "link-orbital-partitioning-in-i-sapt"]], "Localizer": [[98, null]], "Long-Range Corrected": [[1739, "long-range-corrected"]], "Long-Range-Corrected functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1682, null], [1739, "id4"]], "Loops": [[1813, "loops"]], "Lorentzian": [[326, null]], "MADMP2_SLEEP": [[907, null], [1213, "madmp2-sleep"]], "MAT_NUM_COLUMN_PRINT": [[1139, null], [1222, "mat-num-column-print"]], "MAXITER": [[1, "maxiter"], [406, null], [448, null], [486, null], [525, null], [549, null], [742, null], [1063, null], [1081, null], [1186, null], [1198, "maxiter"], [1200, "maxiter"], [1201, "maxiter"], [1203, "maxiter"], [1204, "maxiter"], [1209, "maxiter"], [1219, "maxiter"], [1220, "maxiter"], [1223, "maxiter"], [1229, "maxiter"], [1230, "maxiter"], [1231, "maxiter"], [1232, "maxiter"], [1389, null], [1414, null], [1455, null], [1575, null], [1723, "maxiter"], [1730, "maxiter"], [1752, "maxiter"], [1818, "maxiter"]], "MAX_ATTEMPTS": [[1232, "max-attempts"], [1573, null]], "MAX_CCD_DIISVECS": [[1231, "max-ccd-diisvecs"], [1454, null]], "MAX_DISP_G_CONVERGENCE": [[1227, "max-disp-g-convergence"], [1348, null]], 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"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__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_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__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__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", "autodir_options_c/scf__tdscf_maxiter", "autodir_options_c/scf__tdscf_print", "autodir_options_c/scf__tdscf_r_convergence", "autodir_options_c/scf__tdscf_states", "autodir_options_c/scf__tdscf_tda", "autodir_options_c/scf__tdscf_tdm_print", "autodir_options_c/scf__tdscf_triplets", "autodir_options_c/scf__theta_points", "autodir_options_c/scf__thickness", "autodir_options_c/scf__tile_sz", "autodir_options_c/scf__uhf_noons", "autodir_options_c/scf__wcombine", "autodir_options_c/scf__wfn", "autodir_options_c/thermo__p", "autodir_options_c/thermo__rotational_symmetry_number", "autodir_options_c/thermo__t", "autodir_psivariables/module__adc", "autodir_psivariables/module__ccenergy", "autodir_psivariables/module__cfour", "autodir_psivariables/module__dct", "autodir_psivariables/module__ddx", "autodir_psivariables/module__detci", "autodir_psivariables/module__dfmp2", "autodir_psivariables/module__dfocc", "autodir_psivariables/module__dlpno", "autodir_psivariables/module__dmrg", "autodir_psivariables/module__efp", "autodir_psivariables/module__fisapt", 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false]], "architectures": [[1762, "index-0", false]], "array_interface() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.array_interface", false]], "array_interface() (psi4.core.vector method)": [[149, "psi4.core.Vector.array_interface", false]], "array_to_matrix() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.array_to_matrix", false]], "array_to_matrix() (in module psi4.driver.p4util.numpy_helper)": [[1778, "psi4.driver.p4util.numpy_helper.array_to_matrix", false]], "array_variable() (in module psi4.core)": [[152, "psi4.core.array_variable", false]], "array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.array_variable", false]], "array_variables() (in module psi4.core)": [[153, "psi4.core.array_variables", false]], "array_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.array_variables", false]], "arrays() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.arrays", false]], "ascending 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"auxiliary_bond_factor (optking)": [[1685, "term-AUXILIARY_BOND_FACTOR-OPTKING", true]], "available": [[1733, "index-4", false]], "available by element": [[1712, "index-0", false]], "available by family": [[1711, "index-0", false], [1714, "index-0", false]], "available functionals": [[1739, "index-0", false]], "avg_states (detci)": [[1685, "term-AVG_STATES-DETCI", true]], "avg_weights (detci)": [[1685, "term-AVG_WEIGHTS-DETCI", true]], "axpby() (psi4.core.vector method)": [[149, "psi4.core.Vector.axpby", false]], "axpy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.axpy", false]], "axpy() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.axpy", false]], "axpy() (psi4.core.vector method)": [[149, "psi4.core.Vector.axpy", false]], "axpy_matrix() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.axpy_matrix", false]], "axpy_matrix() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.axpy_matrix", false]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1685, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[283, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1736, "index-2", false], [1752, "index-2", false]], "basis (dfmp2)": [[1685, "term-BASIS-DFMP2", true]], "basis (mints)": [[1685, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1685, "term-BASIS-SAPT", true]], "basis (scf)": [[1685, "term-BASIS-SCF", true]], "basis set": [[1711, "index-0", false], [1711, "index-1", false], [1711, "index-2", false], [1711, "index-3", false], [1712, "index-0", false], [1713, "index-0", false], [1714, "index-0", false], [1721, "index-0", false], [1721, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[148, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1685, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[284, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[334, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1685, "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)": [[93, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1757, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1685, "term-BCCD_MAXITER-CCENERGY", true]], "be_quiet() (in module psi4.core)": [[154, "psi4.core.be_quiet", false]], "begin() (psi4.core.slice method)": [[138, "psi4.core.Slice.begin", false]], "bench (globals)": [[1685, "term-BENCH-GLOBALS", true]], "benchmark_blas1() (in module psi4.core)": [[155, "psi4.core.benchmark_blas1", false]], "benchmark_blas2() (in module psi4.core)": [[156, "psi4.core.benchmark_blas2", false]], "benchmark_blas3() (in module psi4.core)": [[157, "psi4.core.benchmark_blas3", false]], "benchmark_disk() (in module psi4.core)": [[158, "psi4.core.benchmark_disk", false]], "benchmark_integrals() (in module psi4.core)": [[159, "psi4.core.benchmark_integrals", false]], "benchmark_math() (in module psi4.core)": [[160, "psi4.core.benchmark_math", false]], "bendazzoli (detci)": [[1685, "term-BENDAZZOLI-DETCI", true]], "beta_corr_to_pitzer() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.beta_corr_to_pitzer", false]], "beta_orbital_space() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.beta_orbital_space", false]], "bfs() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.BFS", false]], "bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.bibtex", false]], "bindex() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.bIndex", false]], "bits() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.bits", false]], "blank() (psi4.core.superfunctional static method)": [[139, "psi4.core.SuperFunctional.blank", false]], "blend() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.blend", false]], "block_diagonal_array() (in module psi4.driver.p4util)": [[335, "psi4.driver.p4util.block_diagonal_array", false]], "blockopoints (class in psi4.core)": [[9, "psi4.core.BlockOPoints", false]], "blocks() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.blocks", false]], "bohr (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.Bohr", false]], "bohr_per_ang (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.bohr_per_ang", false]], "bond_width (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.bond_width", false]], "bonding_alpha (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.bonding_alpha", false]], "bonds (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.bonds", false]], "borbs() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.bOrbs", false]], "border (pe)": [[1685, "term-BORDER-PE", true]], "border_n_redist (pe)": [[1685, "term-BORDER_N_REDIST-PE", true]], "border_redist_order (pe)": [[1685, "term-BORDER_REDIST_ORDER-PE", true]], "border_redist_pol (pe)": [[1685, "term-BORDER_REDIST_POL-PE", true]], "border_rmin (pe)": [[1685, "term-BORDER_RMIN-PE", true]], "border_rmin_unit (pe)": [[1685, "term-BORDER_RMIN_UNIT-PE", true]], "border_type (pe)": [[1685, "term-BORDER_TYPE-PE", true]], "boyslocalizer (class in psi4.core)": [[10, "psi4.core.BoysLocalizer", false]], "brianqc": [[1716, "index-0", false]], "brianqc_enable": [[1716, "envvar-BRIANQC_ENABLE", false], [1716, "index-4", false]], "brianqc_enable (globals)": [[1685, "term-BRIANQC_ENABLE-GLOBALS", true]], "brianqc_install_path": [[1716, "envvar-BRIANQC_INSTALL_PATH", false], [1716, "index-2", false], [1716, "index-3", false]], "brianqc_sdk_install": [[1716, "envvar-BRIANQC_SDK_INSTALL", false], [1716, "index-1", false]], "brueckner converged": [[1757, "psivar-BRUECKNER-CONVERGED", false]], "brueckner_maxiter (fnocc)": [[1685, "term-BRUECKNER_MAXITER-FNOCC", true]], "brueckner_orbs_r_convergence (ccenergy)": [[1685, "term-BRUECKNER_ORBS_R_CONVERGENCE-CCENERGY", true]], "bsse": [[1775, "index-0", false]], "bsse_type (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.bsse_type", false]], "bsseenum (class in psi4.driver.driver_nbody)": [[1775, "psi4.driver.driver_nbody.BsseEnum", false]], "bsvec (class in psi4.core)": [[5, "psi4.core.BSVec", false]], "bugs": [[1762, "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.erisieve static method)": [[70, "psi4.core.ERISieve.build", false]], "build() (psi4.core.jk static method)": [[93, "psi4.core.JK.build", false]], "build() (psi4.core.localizer static method)": [[98, "psi4.core.Localizer.build", false]], "build() (psi4.core.vbase static method)": [[148, "psi4.core.VBase.build", false]], "build() (psi4.core.wavefunction static method)": [[151, "psi4.core.Wavefunction.build", false]], "build_base() (psi4.core.functional static method)": [[81, "psi4.core.Functional.build_base", false]], "build_cabs_space() (psi4.core.orbitalspace static method)": [[116, "psi4.core.OrbitalSpace.build_cabs_space", false]], "build_collocation_cache() (psi4.core.vbase method)": [[148, "psi4.core.VBase.build_collocation_cache", false]], "build_jk() (psi4.core.jk static method)": [[93, "psi4.core.JK.build_JK", false]], "build_ri_space() (psi4.core.orbitalspace static method)": [[116, "psi4.core.OrbitalSpace.build_ri_space", false]], "build_sad() (psi4.core.sadguess static method)": [[132, "psi4.core.SADGuess.build_SAD", false]], "build_tasks() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.build_tasks", false]], "c() (psi4.core.orbitalspace method)": [[116, "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)": [[129, "psi4.core.RHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.uhf method)": [[146, "psi4.core.UHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.c1_deep_copy", false]], "c2_x() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_x", false]], "c2_y() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_y", false]], "c2_z() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_z", false]], "c_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_add", false]], "c_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_alpha", false]], "c_clear() (psi4.core.jk method)": [[93, "psi4.core.JK.C_clear", false]], "c_functional() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_functional", false]], "c_functionals() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_functionals", false]], "c_left_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_left_add", false]], "c_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_omega", false]], "c_os_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_os_alpha", false]], "c_right_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_right_add", false]], "c_ss_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_ss_alpha", false]], "ca() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Ca", false]], "ca() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Ca", false]], "ca_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Ca_subset", false]], "cachelevel (ccdensity)": [[1685, "term-CACHELEVEL-CCDENSITY", true]], "cachelevel (ccenergy)": [[1685, "term-CACHELEVEL-CCENERGY", true]], "cachelevel (cceom)": [[1685, "term-CACHELEVEL-CCEOM", true]], "cachelevel (cchbar)": [[1685, "term-CACHELEVEL-CCHBAR", true]], "cachelevel (cclambda)": [[1685, "term-CACHELEVEL-CCLAMBDA", true]], "cachelevel (ccresponse)": [[1685, "term-CACHELEVEL-CCRESPONSE", true]], "cachelevel (cctransort)": [[1685, "term-CACHELEVEL-CCTRANSORT", true]], "cachelevel (dct)": [[1685, "term-CACHELEVEL-DCT", true]], "cachelevel (occ)": [[1685, "term-CACHELEVEL-OCC", true]], "cachetype (ccenergy)": [[1685, "term-CACHETYPE-CCENERGY", true]], "cachetype (cceom)": [[1685, "term-CACHETYPE-CCEOM", true]], "calc_s_squared (detci)": [[1685, "term-CALC_S_SQUARED-DETCI", true]], "canonicalize_active_favg (mcscf)": [[1685, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF", true]], "canonicalize_inactive_favg (mcscf)": [[1685, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF", true]], "cart_hess_read (optking)": [[1685, "term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1685, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1757, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1757, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1757, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1757, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[285, "index-0", false], [1721, "index-0", false], [1721, "index-1", false], [1721, "index-2", false], [1721, "index-3", false], [1722, "index-0", false]], "cbs() (in module psi4.driver)": [[285, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1723, "index-0", false]], "cc (detci)": [[1685, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1757, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1757, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1757, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1757, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1757, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1757, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1757, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1757, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1757, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1757, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1757, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1757, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1757, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1757, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1757, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1757, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1757, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1757, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1757, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1723, "index-0", false]], "cc2 alpha-alpha pair energies": [[1757, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1757, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1757, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1757, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1757, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1757, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1757, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1757, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1757, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1757, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1757, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1757, "psivar-CC3-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc3 alpha-beta pair energies": [[1757, "psivar-CC3-ALPHA-BETA-PAIR-ENERGIES", false]], "cc3 correlation energy": [[1757, "psivar-CC3-CORRELATION-ENERGY", false]], "cc3 singlet pair energies": [[1757, "psivar-CC3-SINGLET-PAIR-ENERGIES", false]], "cc3 total energy": [[1757, "psivar-CC3-TOTAL-ENERGY", false]], "cc3 triplet pair energies": [[1757, "psivar-CC3-TRIPLET-PAIR-ENERGIES", false]], "cc3_follow_root (cceom)": [[1685, "term-CC3_FOLLOW_ROOT-CCEOM", true]], "cc4 correlation energy": [[1757, "psivar-CC4-CORRELATION-ENERGY", false]], "cc4 total energy": [[1757, "psivar-CC4-TOTAL-ENERGY", false]], "cc_a_ras3_max (detci)": [[1685, "term-CC_A_RAS3_MAX-DETCI", true]], "cc_b_ras3_max (detci)": [[1685, "term-CC_B_RAS3_MAX-DETCI", true]], "cc_diis_max_vecs (dfocc)": [[1685, "term-CC_DIIS_MAX_VECS-DFOCC", true]], "cc_diis_min_vecs (dfocc)": [[1685, "term-CC_DIIS_MIN_VECS-DFOCC", true]], "cc_ex_level (detci)": [[1685, "term-CC_EX_LEVEL-DETCI", true]], "cc_fix_external (detci)": [[1685, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1685, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1685, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1685, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1685, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1685, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1685, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1685, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1685, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1685, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1685, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1685, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1685, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1685, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1685, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1685, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1685, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1685, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1685, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1685, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1685, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1685, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1685, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1685, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1685, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1757, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1757, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1757, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1757, "psivar-CCD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccd singles energy": [[1757, "psivar-CCD-SINGLES-ENERGY", false]], "ccd total energy": [[1757, "psivar-CCD-TOTAL-ENERGY", false]], "ccd_e_convergence (sapt)": [[1685, "term-CCD_E_CONVERGENCE-SAPT", true]], "ccd_maxiter (sapt)": [[1685, "term-CCD_MAXITER-SAPT", true]], "ccd_t_convergence (sapt)": [[1685, "term-CCD_T_CONVERGENCE-SAPT", true]], "ccdensity() (in module psi4.core)": [[161, "psi4.core.ccdensity", false]], "ccenergy() (in module psi4.core)": [[162, "psi4.core.ccenergy", false]], "cceom() (in module psi4.core)": [[163, "psi4.core.cceom", false]], "cchbar() (in module psi4.core)": [[164, "psi4.core.cchbar", false]], "ccl_energy (occ)": [[1685, "term-CCL_ENERGY-OCC", true]], "cclambda() (in module psi4.core)": [[165, "psi4.core.cclambda", false]], "ccn correlation energy": [[1757, "psivar-CCn-CORRELATION-ENERGY", false]], "ccn total energy": [[1757, "psivar-CCn-TOTAL-ENERGY", false]], "ccn-1a correlation energy": [[1757, "psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1757, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1757, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1757, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1757, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1757, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m (in h) -> root n (in i) einstein a (len)": [[1757, "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)": [[1757, "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)": [[1757, "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)": [[1757, "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)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n einstein a (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN", false]], "ccname root m -> root n einstein a (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN-h-TRANSITION", false]], "ccname root m -> root n einstein b (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1757, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1757, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1757, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1757, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1757, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1757, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1757, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1757, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1757, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1757, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1757, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1757, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1757, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1757, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1757, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1757, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1757, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1757, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[166, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1757, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1757, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1757, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1757, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1757, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1757, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1757, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1757, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1757, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1757, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1757, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1757, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1757, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1757, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1757, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1757, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1757, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1757, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1752, "index-1", false]], "ccsd(t) correlation energy": [[1757, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1757, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1757, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1757, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1757, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1757, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1757, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1757, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1757, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1757, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1757, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1757, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1757, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1757, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1757, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1757, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1757, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1757, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1757, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1757, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1757, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1757, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1757, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1757, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1757, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1757, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1757, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1757, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[167, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[168, "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)": [[104, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1752, "index-1", false]], "cepa(0) correlation energy": [[1757, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1757, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1757, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1757, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1757, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1757, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1757, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1757, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1757, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1757, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1757, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1757, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1757, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1757, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1757, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1757, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1757, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1757, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1757, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1757, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1757, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1757, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1757, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1757, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1757, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1757, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1685, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1685, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1685, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1685, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1685, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1685, "term-CEPA_TYPE-OCC", true]], "cfour": [[1724, "index-0", false]], "cfour error code": [[1757, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1685, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1685, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1685, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1685, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1685, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1685, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1685, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1685, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1685, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1685, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1685, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1685, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1685, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1685, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1685, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1685, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1685, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1685, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1685, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1685, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1685, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1685, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1685, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1685, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1685, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1685, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1685, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1685, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1685, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1685, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1685, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1685, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1685, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1685, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1685, 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true]], "cfour_fd_irreps (cfour)": [[1685, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1685, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1685, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1685, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1685, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1685, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1685, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1685, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1685, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1685, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1685, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1685, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1685, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1685, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1685, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1685, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1685, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1685, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1685, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1685, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1685, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1685, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1685, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1685, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1685, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1685, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1685, "term-CFOUR_INPUT_MRCC-CFOUR", true]], 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"term-CFOUR_NEGEVAL-CFOUR", true]], "cfour_newnorm (cfour)": [[1685, "term-CFOUR_NEWNORM-CFOUR", true]], "cfour_nonhf (cfour)": [[1685, "term-CFOUR_NONHF-CFOUR", true]], "cfour_ntop_tamp (cfour)": [[1685, "term-CFOUR_NTOP_TAMP-CFOUR", true]], "cfour_occupation (cfour)": [[1685, "term-CFOUR_OCCUPATION-CFOUR", true]], "cfour_omp_num_threads (cfour)": [[1685, "term-CFOUR_OMP_NUM_THREADS-CFOUR", true]], "cfour_open-shell (cfour)": [[1685, "term-CFOUR_OPEN-SHELL-CFOUR", true]], "cfour_opt_maxcyc (cfour)": [[1685, "term-CFOUR_OPT_MAXCYC-CFOUR", true]], "cfour_orbitals (cfour)": [[1685, "term-CFOUR_ORBITALS-CFOUR", true]], "cfour_pert_orb (cfour)": [[1685, "term-CFOUR_PERT_ORB-CFOUR", true]], "cfour_points (cfour)": [[1685, "term-CFOUR_POINTS-CFOUR", true]], "cfour_print (cfour)": [[1685, "term-CFOUR_PRINT-CFOUR", true]], "cfour_prop_integral (cfour)": [[1685, "term-CFOUR_PROP_INTEGRAL-CFOUR", true]], "cfour_props (cfour)": [[1685, "term-CFOUR_PROPS-CFOUR", true]], "cfour_qrhf_general 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"psi4.core.HF.check_phases", false]], "chemps2": [[1727, "index-0", false]], "cholesky (dfocc)": [[1685, "term-CHOLESKY-DFOCC", true]], "cholesky_factorize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.cholesky_factorize", false]], "cholesky_tolerance (dfocc)": [[1685, "term-CHOLESKY_TOLERANCE-DFOCC", true]], "cholesky_tolerance (fnocc)": [[1685, "term-CHOLESKY_TOLERANCE-FNOCC", true]], "cholesky_tolerance (scf)": [[1685, "term-CHOLESKY_TOLERANCE-SCF", true]], "ci": [[1736, "index-0", false], [1736, "index-1", false], [1736, "index-2", false], [1736, "index-3", false], [1736, "index-4", false], [1736, "index-5", false], [1770, "index-2", false]], "ci correlation energy": [[1757, "psivar-CI-CORRELATION-ENERGY", false]], "ci dipole": [[1757, "psivar-CI-DIPOLE", false]], "ci quadrupole": [[1757, "psivar-CI-QUADRUPOLE", false]], "ci root n -> root m dipole": [[1757, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", false]], "ci root n -> root m quadrupole": [[1757, 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"term-CI_TYPE-GLOBALS", true]], "ciblks_print (detci)": [[1685, "term-CIBLKS_PRINT-DETCI", true]], "cin correlation energy": [[1757, "psivar-CIn-CORRELATION-ENERGY", false]], "cin total energy": [[1757, "psivar-CIn-TOTAL-ENERGY", false]], "cisd correlation energy": [[1757, "psivar-CISD-CORRELATION-ENERGY", false]], "cisd dipole": [[1757, "psivar-CISD-DIPOLE", false]], "cisd doubles energy": [[1757, "psivar-CISD-DOUBLES-ENERGY", false]], "cisd opposite-spin correlation energy": [[1757, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cisd quadrupole": [[1757, "psivar-CISD-QUADRUPOLE", false]], "cisd same-spin correlation energy": [[1757, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", false]], "cisd singles energy": [[1757, "psivar-CISD-SINGLES-ENERGY", false]], "cisd total energy": [[1757, "psivar-CISD-TOTAL-ENERGY", false]], "cisdt correlation energy": [[1757, "psivar-CISDT-CORRELATION-ENERGY", false]], "cisdt total energy": [[1757, "psivar-CISDT-TOTAL-ENERGY", false]], "cisdtq correlation energy": [[1757, "psivar-CISDTQ-CORRELATION-ENERGY", false]], "cisdtq total energy": [[1757, "psivar-CISDTQ-TOTAL-ENERGY", false]], "citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.citation", false]], "citation() (psi4.core.functional method)": [[81, "psi4.core.Functional.citation", false]], "citation() (psi4.core.superfunctional method)": [[139, "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)": [[134, "psi4.core.SOMCSCF.Ck", false]], "clean() (in module psi4.core)": [[169, "psi4.core.clean", false]], "clean_options() (in module psi4.core)": [[170, "psi4.core.clean_options", false]], "clean_timers() (in module psi4.core)": [[171, "psi4.core.clean_timers", false]], "clean_variables() (in module psi4.core)": [[172, "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)": [[74, "psi4.core.ExternalPotential.clear", false]], "clear() (psi4.core.oeprop method)": [[112, "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)": [[148, "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)": [[85, "psi4.core.HF.clear_external_cpscf_perturbations", false]], "clear_external_potentials() (psi4.core.hf method)": [[85, "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)": [[89, "psi4.core.IntVector.clone", false]], "clone() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.clone", false]], "clone() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.clone", false]], "clone() (psi4.core.vector method)": [[149, "psi4.core.Vector.clone", false]], "close() (psi4.core.io method)": [[87, "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)": [[173, "psi4.core.close_outfile", false]], "coef (psi4.core.salccomponent attribute)": [[135, "psi4.core.SalcComponent.coef", false]], "coef() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.coef", false]], "coldim() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.coldim", false]], "coldim() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.coldim", false]], "coldim() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.coldim", false]], "collapse_size (detci)": [[1685, "term-COLLAPSE_SIZE-DETCI", true]], "collapse_with_last (cceom)": [[1685, "term-COLLAPSE_WITH_LAST-CCEOM", true]], "collapse_with_last_cc3 (cceom)": [[1685, "term-COLLAPSE_WITH_LAST_CC3-CCEOM", true]], "collocation": [[1754, "index-0", false]], "collocation_size() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.collocation_size", false]], "colors (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.colors", false]], "cols() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.cols", false]], "com_fixed() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.com_fixed", false]], "comment() (psi4.core.molecule method)": [[107, "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)": [[286, "psi4.driver.compare_fchkfiles", false]], "compare_fchkfiles() (in module psi4.driver.p4util)": [[337, "psi4.driver.p4util.compare_fchkfiles", false]], "compare_fcidumps() (in module psi4)": [[2, "psi4.compare_fcidumps", false]], "compare_fcidumps() (in module psi4.driver)": [[287, "psi4.driver.compare_fcidumps", false]], "compare_fcidumps() (in module psi4.driver.p4util)": [[338, "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)": [[288, "psi4.driver.compare_moldenfiles", false]], "compare_moldenfiles() (in module psi4.driver.p4util)": [[339, "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)": [[384, "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": [[1762, "index-1", false]], "compiling": [[1719, "index-0", false]], "complete_basis_set()": [[1721, "index-0", false]], "complex_tolerance (cceom)": [[1685, "term-COMPLEX_TOLERANCE-CCEOM", true]], "compositejk (class in psi4.core)": [[18, "psi4.core.CompositeJK", false]], "comput_s2 (dfocc)": [[1685, "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)": [[71, "psi4.core.ESPPropCalc.compute_field_over_grid_in_memory", false]], "compute_fock_like_matrices() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.compute_fock_like_matrices", false]], "compute_functional() (psi4.core.functional method)": [[81, "psi4.core.Functional.compute_functional", false]], "compute_functional() (psi4.core.superfunctional method)": [[139, "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)": [[85, "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)": [[148, "psi4.core.VBase.compute_gradient", false]], 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"compute_spin_contamination() (psi4.core.hf method)": [[85, "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)": [[95, "psi4.core.LS_THC_Computer.compute_thc_factorization", false]], "compute_triples (fnocc)": [[1685, "term-COMPUTE_TRIPLES-FNOCC", true]], "compute_v() (psi4.core.vbase method)": [[148, "psi4.core.VBase.compute_V", false]], "compute_vx() (psi4.core.vbase method)": [[148, "psi4.core.VBase.compute_Vx", false]], "computed (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.computed", false]], "computed_shells_per_iter() (psi4.core.jk method)": [[93, "psi4.core.JK.computed_shells_per_iter", false]], "computeexternexterninteraction() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computeExternExternInteraction", false]], "computenuclearenergy() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computeNuclearEnergy", false]], "computepotentialmatrix() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computePotentialMatrix", false]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer", false]], "conda_prefix": [[1719, "index-20", false], [1719, "index-22", false], [1748, "envvar-CONDA_PREFIX", false]], "connectivity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.connectivity", false]], "consecutive_backsteps (optking)": [[1685, "term-CONSECUTIVE_BACKSTEPS-OPTKING", true]], "constrained": [[1783, "index-2", false]], "construct_from_pydict() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.construct_from_pydict", false]], "contact": [[1762, "index-3", false]], "continuum solvation": [[1735, "index-0", false], [1784, "index-0", false]], "converged (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.converged", false]], "convergence criteria": [[1783, "index-3", false]], "convergenceerror": [[267, "psi4.driver.ConvergenceError", false]], "copy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.copy", false]], "copy() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.copy", false]], "copy() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.copy", false]], "copy() (psi4.core.vector method)": [[149, "psi4.core.Vector.copy", false]], "copy_file_from_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_from_scratch", false]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[340, "psi4.driver.p4util.copy_file_from_scratch", false]], "copy_file_to_scratch() (in module psi4.driver)": [[290, "psi4.driver.copy_file_to_scratch", false]], "copy_file_to_scratch() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.copy_file_to_scratch", false]], "copy_lower_to_upper() 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(class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1735, "index-0", false]], "cosx_basis_tolerance (scf)": [[1685, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1685, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1685, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1685, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1685, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1685, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1685, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1685, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1685, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1685, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1814, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1775, "index-1", false]], "coupled_induction (sapt)": [[1685, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1685, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1685, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1685, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1775, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1757, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1685, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1685, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1685, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1685, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1730, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1719, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1719, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[109, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[102, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[291, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.Ct", false]], "cube": [[1731, "index-0", false]], "cubeprop": [[1731, "index-0", false]], "cubeprop() (in module psi4.driver)": [[292, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1685, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1685, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1685, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1685, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1685, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in 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"psivar-CURRENT-DIPOLE-GRADIENT", false]], "current energy": [[1757, "psivar-CURRENT-ENERGY", false]], "current gradient": [[1757, "psivar-CURRENT-GRADIENT", false]], "current hessian": [[1757, "psivar-CURRENT-HESSIAN", false]], "current reference energy": [[1757, "psivar-CURRENT-REFERENCE-ENERGY", false]], "current_afock() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_AFock", false]], "current_ci_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_ci_energy", false]], "current_docc_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_docc_energy", false]], "current_ifock() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_IFock", false]], "current_total_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_total_energy", false]], "custom scs-lccd correlation energy": [[1757, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1757, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1757, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1757, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1757, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1757, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1757, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1757, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1757, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1757, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1757, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1757, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "cutoff (dfocc)": [[1685, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1685, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1685, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[93, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1685, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1685, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1685, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1685, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1819, "index-2", false]], "damping_convergence (scf)": [[1685, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1685, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1685, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1685, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1685, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1685, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[85, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[148, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1733, "index-0", false], [1733, "index-3", false], [1733, "index-4", false], [1816, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1733, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1733, "index-0", false]], "db() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1757, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1757, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1757, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[151, "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": [[1734, "index-0", false]], "dct lambda energy": [[1757, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1757, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1757, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1757, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[174, "psi4.core.dct", false]], "dct_functional (dct)": [[1685, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1685, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1685, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1757, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1735, "index-0", false]], "ddx (globals)": [[1685, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1685, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1685, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1685, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1685, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1685, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1685, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1685, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1685, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1685, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1685, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1685, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1685, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1685, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1685, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1685, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1685, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1685, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1685, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1685, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1685, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1685, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1685, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1685, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1685, "term-DEBUG-CPHF", true]], "debug (globals)": [[1685, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1713, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[175, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[176, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[177, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1685, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1721, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1685, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1685, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[96, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[141, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[96, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[141, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1737, "index-0", false], [1752, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[139, "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)": [[139, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1685, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1685, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[81, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1757, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[178, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1685, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1752, "index-1", false]], "df-mp2": [[1737, "index-0", false], [1737, "index-1", false]], "df_basis_cc (fnocc)": [[1685, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1685, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1685, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1685, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1685, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1685, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1685, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1685, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1685, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1685, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1685, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1685, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1685, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1685, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1685, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1685, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1685, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1685, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1685, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1685, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1685, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1685, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1685, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1685, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1685, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[103, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[179, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1685, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1685, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1685, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[180, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1738, "index-0", false], [1739, "index-0", false], [1765, "index-0", false]], "dft dipole gradient": [[1757, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1757, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1757, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1757, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1757, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1757, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1757, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1685, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1685, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1685, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1685, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1685, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1685, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1685, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1685, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1685, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1685, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1685, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1685, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1685, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1685, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1685, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1685, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1685, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1685, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1685, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1685, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1685, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1685, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1685, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1685, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1685, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1685, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1685, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1685, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1685, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1685, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1685, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1685, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1685, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1685, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1740, "index-0", false]], "dftd4": [[1740, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1741, "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)": [[77, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1685, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1685, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1685, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1685, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1819, "index-2", false]], "diis (ccenergy)": [[1685, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1685, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1685, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1685, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1685, "term-DIIS-MCSCF", true]], "diis (scf)": [[1685, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[85, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[129, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[146, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1685, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1685, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1685, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1685, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1685, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1685, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1685, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1685, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1685, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1685, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1685, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1685, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1685, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1685, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1685, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1685, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1685, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[149, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[149, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1685, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1685, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[104, "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)": [[268, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1685, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1757, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1756, "index-0", false]], "distributed_matrix (scf)": [[1685, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1743, "index-0", false]], "dkh_order (globals)": [[1685, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[181, "psi4.core.dlpno", false]], "dlpno-mp2": [[1744, "index-0", false], [1744, "index-1", false]], "dlpno_algorithm (dlpno)": [[1685, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1685, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1685, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1756, "index-0", false]], "dma distributed multipoles": [[1757, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1757, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[182, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1757, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1757, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1685, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1685, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1685, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1685, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1685, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1685, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1685, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1685, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1685, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1685, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1685, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1685, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1685, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1685, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1685, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1685, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1685, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1685, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1685, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1685, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1685, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1685, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1685, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1685, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1685, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], "do_ccd_disp (sapt)": [[1685, "term-DO_CCD_DISP-SAPT", true]], "do_cubes() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.do_cubes", false]], "do_diis (dfocc)": [[1685, "term-DO_DIIS-DFOCC", true]], "do_diis (occ)": [[1685, "term-DO_DIIS-OCC", true]], "do_disp_exch_sinf (sapt)": [[1685, "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)": [[1685, "term-DO_IND30_EXCH_SINF-SAPT", true]], "do_ind_exch_sinf (sapt)": [[1685, "term-DO_IND_EXCH_SINF-SAPT", true]], "do_level_shift (dfocc)": [[1685, "term-DO_LEVEL_SHIFT-DFOCC", true]], "do_level_shift (occ)": [[1685, "term-DO_LEVEL_SHIFT-OCC", true]], "do_mbpt_disp (sapt)": [[1685, "term-DO_MBPT_DISP-SAPT", true]], "do_scs (dfocc)": [[1685, "term-DO_SCS-DFOCC", true]], "do_scs (occ)": [[1685, "term-DO_SCS-OCC", true]], "do_sos (dfocc)": [[1685, "term-DO_SOS-DFOCC", true]], "do_sos (occ)": [[1685, "term-DO_SOS-OCC", true]], "do_third_order (sapt)": [[1685, "term-DO_THIRD_ORDER-SAPT", true]], "docc (globals)": [[1685, "term-DOCC-GLOBALS", true]], "docc (mcscf)": [[1685, "term-DOCC-MCSCF", true]], "doccpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.doccpi", false]], "docs_table_link() (in module psi4.driver)": [[293, "psi4.driver.docs_table_link", false]], "docs_table_link() (in module psi4.driver.p4util)": [[344, "psi4.driver.p4util.docs_table_link", false]], "doi_basis_tolerance (dlpno)": [[1685, "term-DOI_BASIS_TOLERANCE-DLPNO", true]], "doi_pruning_scheme (dlpno)": [[1685, "term-DOI_PRUNING_SCHEME-DLPNO", true]], "doi_radial_points (dlpno)": [[1685, "term-DOI_RADIAL_POINTS-DLPNO", true]], "doi_spherical_points (dlpno)": [[1685, "term-DOI_SPHERICAL_POINTS-DLPNO", true]], "domain (psi4.driver.p4util.lineshape attribute)": [[325, "psi4.driver.p4util.Lineshape.domain", false]], "dot() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.dot", false]], "double-hybrid correction energy": [[1757, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", false]], "doublet() (in module psi4.core)": [[183, "psi4.core.doublet", false]], "doublet() (psi4.core.matrix static method)": [[101, "psi4.core.Matrix.doublet", false]], "dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.DPD_ID", false]], "dpdbuf4 (class in psi4.core)": [[184, "psi4.core.dpdbuf4", false]], "dpdfile2 (class in psi4.core)": [[185, "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)": [[266, "psi4.driver.AtomicComputer.driver", false]], "driver (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.driver", false]], "driver (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.driver", false]], "driver (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.driver", false]], "drop_duplicates() (in module psi4.driver.p4util)": [[345, "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)": [[99, "psi4.core.MOSpace.dum", false]], "dummy_einsums() (in module psi4.core)": [[186, "psi4.core.dummy_einsums", false]], "dummy_integratorxx() (in module psi4.core)": [[187, "psi4.core.dummy_integratorxx", false]], "dynamic_level (optking)": [[1685, "term-DYNAMIC_LEVEL-OPTKING", true]], "dynamic_variable_bind() (in module psi4.driver)": [[294, "psi4.driver.dynamic_variable_bind", false]], "e() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.E", false]], "e3_scale (dfocc)": [[1685, "term-E3_SCALE-DFOCC", true]], "e3_scale (occ)": [[1685, "term-E3_SCALE-OCC", true]], "e_conv (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.e_conv", false]], "e_convergence (ccenergy)": [[1685, "term-E_CONVERGENCE-CCENERGY", true]], "e_convergence (cceom)": [[1685, "term-E_CONVERGENCE-CCEOM", true]], "e_convergence (dct)": [[1685, "term-E_CONVERGENCE-DCT", true]], "e_convergence (detci)": [[1685, "term-E_CONVERGENCE-DETCI", true]], "e_convergence (dfocc)": [[1685, "term-E_CONVERGENCE-DFOCC", true]], "e_convergence (dlpno)": [[1685, "term-E_CONVERGENCE-DLPNO", true]], "e_convergence (fnocc)": [[1685, "term-E_CONVERGENCE-FNOCC", true]], "e_convergence (mcscf)": [[1685, "term-E_CONVERGENCE-MCSCF", true]], "e_convergence (mrcc)": [[1685, "term-E_CONVERGENCE-MRCC", true]], "e_convergence (occ)": [[1685, "term-E_CONVERGENCE-OCC", true]], "e_convergence (psimrcc)": [[1685, "term-E_CONVERGENCE-PSIMRCC", true]], "e_convergence (scf)": [[1685, "term-E_CONVERGENCE-SCF", true]], "ea_poles (occ)": [[1685, "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": [[1746, "index-0", false]], "efp": [[1763, "index-0", false], [1763, "index-1", false], [1763, "index-4", false], [1763, "index-5", false]], "efp disp energy": [[1757, "psivar-EFP-DISP-ENERGY", false]], "efp elst energy": [[1757, "psivar-EFP-ELST-ENERGY", false]], "efp exch energy": [[1757, "psivar-EFP-EXCH-ENERGY", false]], "efp ind energy": [[1757, "psivar-EFP-IND-ENERGY", false]], "efp torque": [[1757, "psivar-EFP-TORQUE", false]], "efp total energy": [[1757, "psivar-EFP-TOTAL-ENERGY", false]], "efp_disp (efp)": [[1685, "term-EFP_DISP-EFP", true]], "efp_disp_damping (efp)": [[1685, "term-EFP_DISP_DAMPING-EFP", true]], "efp_elst (efp)": [[1685, "term-EFP_ELST-EFP", true]], "efp_elst_damping (efp)": [[1685, "term-EFP_ELST_DAMPING-EFP", true]], "efp_exch (efp)": [[1685, "term-EFP_EXCH-EFP", true]], "efp_ind (efp)": [[1685, "term-EFP_IND-EFP", true]], "efp_ind_damping (efp)": [[1685, "term-EFP_IND_DAMPING-EFP", true]], "efp_qm_elst (efp)": [[1685, "term-EFP_QM_ELST-EFP", true]], "efp_qm_ind (efp)": [[1685, "term-EFP_QM_IND-EFP", true]], "efzc() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.efzc", false]], "ekt_ea (occ)": [[1685, "term-EKT_EA-OCC", true]], "ekt_ip (dfocc)": [[1685, "term-EKT_IP-DFOCC", true]], "ekt_ip (occ)": [[1685, "term-EKT_IP-OCC", true]], "electric_field() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.electric_field", false]], "electric_field() (psi4.core.mintshelper method)": 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"term-FILTER_ZERO_DET-DETCI", true]], "finalize() (in module psi4.core)": [[189, "psi4.core.finalize", false]], "finalize() (psi4.core.hf method)": [[85, "psi4.core.HF.finalize", false]], "finalize() (psi4.core.jk method)": [[93, "psi4.core.JK.finalize", false]], "finalize() (psi4.core.vbase method)": [[148, "psi4.core.VBase.finalize", false]], "finalize_energy() (psi4.core.hf method)": [[85, "psi4.core.HF.finalize_energy", false]], "find() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.find", false]], "find_approximate_string_matches() (in module psi4.driver)": [[300, "psi4.driver.find_approximate_string_matches", false]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.find_approximate_string_matches", false]], "find_highest_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.find_highest_point_group", false]], "find_occupation() (psi4.core.hf method)": [[85, "psi4.core.HF.find_occupation", false]], 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[[1685, "term-FISAPT_DO_FSAPT_DISP-FISAPT", true]], "fisapt_do_plot (fisapt)": [[1685, "term-FISAPT_DO_PLOT-FISAPT", true]], "fisapt_exch_parperp (fisapt)": [[1685, "term-FISAPT_EXCH_PARPERP-FISAPT", true]], "fisapt_fsapt_exch_scale (fisapt)": [[1685, "term-FISAPT_FSAPT_EXCH_SCALE-FISAPT", true]], "fisapt_fsapt_filepath (fisapt)": [[1685, "term-FISAPT_FSAPT_FILEPATH-FISAPT", true]], "fisapt_fsapt_ind_response (fisapt)": [[1685, "term-FISAPT_FSAPT_IND_RESPONSE-FISAPT", true]], "fisapt_fsapt_ind_scale (fisapt)": [[1685, "term-FISAPT_FSAPT_IND_SCALE-FISAPT", true]], "fisapt_fssapt_filepath (fisapt)": [[1685, "term-FISAPT_FSSAPT_FILEPATH-FISAPT", true]], "fisapt_link_assignment (fisapt)": [[1685, "term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1685, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1685, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1685, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1685, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1685, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[78, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[79, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1685, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[190, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1752, "index-0", false]], "fno-ccsd(t)": [[1752, "index-1", false]], "fno-mp4": [[1752, "index-1", false]], "fno-qcisd(t)": [[1752, "index-1", false]], "fnocc": [[1752, "index-2", false], [1752, "index-3", false]], "fnocc() (in module psi4.core)": [[191, "psi4.core.fnocc", false]], "follow_root (detci)": [[1685, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1685, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1685, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1685, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1685, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1685, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1685, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1685, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[85, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[85, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[85, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[85, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[85, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[85, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[85, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[85, "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)": [[79, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[85, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[107, "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)": [[76, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[85, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1685, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1685, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1685, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1685, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[85, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1685, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1685, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1685, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1685, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[80, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_core (globals)": [[1685, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1685, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1685, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1685, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1685, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1753, "index-0", false]], "freq() (in module psi4.driver)": [[301, "psi4.driver.freq", false]], "frequencies()": [[1753, "index-0", false]], "frequencies() (in module psi4.driver)": [[302, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1753, "index-0", false]], "frequency() (in module psi4.driver)": [[303, "psi4.driver.frequency", false]], "frequency();": [[1753, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[107, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[151, "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)": [[101, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1752, "index-0", false]], "frozen natural orbitals": [[1752, "index-1", false]], "frozen_bend (optking)": [[1685, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1685, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1685, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1685, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1685, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1685, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1685, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1685, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1685, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1753, "index-0", false], [1781, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[82, "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)": [[81, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[85, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[148, "psi4.core.VBase.functional", false]], "functionals": [[1765, "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)": [[107, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fZ", false], [107, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1685, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[325, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1754, "index-0", false]], "gauge (adc)": [[1685, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1685, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1685, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1750, "index-0", false]], "gaussianshell (class in psi4.core)": [[82, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[83, "psi4.core.GaussianType", false]], "gcp": [[1755, "index-0", false]], "gdma": [[1756, "index-0", false]], "gdma() (in module psi4.driver)": [[304, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1685, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1685, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1685, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1685, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1685, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1813, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1685, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1781, "index-0", false], [1783, "index-1", false], [1783, "index-2", false], [1783, "index-3", false], [1783, "index-4", false]], "geometry optimization, optimization": [[1783, "index-0", false]], "geometry() (in module psi4.driver)": [[305, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[84, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[149, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[192, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[79, "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)": [[151, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[193, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[194, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[148, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[149, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[115, "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)": [[115, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[195, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[151, "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)": [[151, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[115, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[196, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[197, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[115, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[115, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[198, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[199, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[306, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[354, "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)": [[91, "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)": [[79, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[97, "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)": [[148, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[200, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[93, "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)": [[201, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[202, "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)": [[203, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[266, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[79, "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)": [[151, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[115, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[91, "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)": [[76, "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)": [[204, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[205, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[93, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[206, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[87, "psi4.core.IO.getpid", false]], "ghost": [[1814, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1814, "index-3", false]], "gibbs free energy": [[1757, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1757, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[207, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1781, "index-0", false]], "gradient() (in module psi4.driver)": [[307, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1685, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1757, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1757, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1757, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[148, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1685, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[85, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[85, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[85, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1685, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1685, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1685, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1685, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1685, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1685, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1685, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1685, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1685, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1685, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1685, "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)": [[357, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1824, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1819, "index-0", false]], "has_array_variable() (in module psi4.core)": [[208, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[151, "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)": [[209, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[210, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[211, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[151, "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)": [[212, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[213, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1685, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1685, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1685, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1685, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1685, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1685, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1685, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1685, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1685, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1685, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1753, "index-0", false]], "hessian() (in module psi4.driver)": [[308, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1685, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1819, "index-0", false]], "hf (class in psi4.core)": [[85, "psi4.core.HF", false]], "hf dipole gradient": [[1757, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1757, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1757, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1757, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1757, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1757, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1757, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1818, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.hold_options_state", false]], "host": [[1719, "index-21", false], [1719, "index-23", false], [1748, "envvar-HOST", false]], "i() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.i", false]], "icore (detci)": [[1685, "term-ICORE-DETCI", true]], "id() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.id", false]], "idamax() (in module psi4.core)": [[86, "psi4.core.IDAMAX", false]], "identity() (psi4.core.matrix method)": [[101, "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)": [[359, "psi4.driver.p4util.import_ignorecase", false]], "incfock (scf)": [[1685, "term-INCFOCK-SCF", true]], "incfock_convergence (scf)": [[1685, "term-INCFOCK_CONVERGENCE-SCF", true]], "incfock_full_fock_every (scf)": [[1685, "term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1685, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[149, "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)": [[214, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[93, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[148, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[324, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1719, "index-0", false]], "intcos_generate_exit (optking)": [[1685, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integral", false]], "integral() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.integral", false]], "integral_cutoff (dfocc)": [[1685, "term-INTEGRAL_CUTOFF-DFOCC", true]], "integral_package (globals)": [[1685, "term-INTEGRAL_PACKAGE-GLOBALS", true]], "integralfactory (class in psi4.core)": [[90, "psi4.core.IntegralFactory", false]], "integrals": [[1764, "index-0", false], [1820, "index-0", false]], "integrals() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals", false]], "integrals_erf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals_erf", false]], "integrals_erfc() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals_erfc", false]], "integraltransform (class in psi4.core)": [[91, "psi4.core.IntegralTransform", false]], "interfrag_collinear_tol (optking)": [[1685, "term-INTERFRAG_COLLINEAR_TOL-OPTKING", true]], "interfrag_coords (optking)": [[1685, "term-INTERFRAG_COORDS-OPTKING", true]], "interfrag_dist_inv (optking)": [[1685, "term-INTERFRAG_DIST_INV-OPTKING", true]], "interfrag_hess (optking)": [[1685, "term-INTERFRAG_HESS-OPTKING", true]], "interfrag_mode (optking)": [[1685, "term-INTERFRAG_MODE-OPTKING", true]], "interfrag_step_limit (optking)": [[1685, "term-INTERFRAG_STEP_LIMIT-OPTKING", true]], "interfragment_connect (optking)": [[1685, "term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1685, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1685, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1685, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1685, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1685, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1685, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1685, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1685, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1685, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[89, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[87, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[88, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[89, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1685, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[309, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1749, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1783, "index-2", false]], "irc_direction (optking)": [[1685, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1685, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1685, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[92, "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)": [[107, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[82, "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)": [[81, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.is_poisson", false]], "is_pure() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.is_pure", false]], "is_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.is_variable", false]], "is_x_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_x_hybrid", false]], "is_x_lrc() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_x_lrc", false]], "isa": [[1780, "index-1", false]], "isotope": [[1814, "index-4", false]], "isotopes": [[1814, "index-4", false]], "isotropic_pol (pe)": [[1685, "term-ISOTROPIC_POL-PE", true]], "istop (detci)": [[1685, "term-ISTOP-DETCI", true]], "iteration (psi4.driver.convergenceerror attribute)": [[267, "psi4.driver.ConvergenceError.iteration", false]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[271, "psi4.driver.OptimizationConvergenceError.iteration", false]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.iteration", false]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.iteration", false]], "iteration_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.iteration_", false]], "iteration_energies (psi4.core.hf attribute)": [[85, "psi4.core.HF.iteration_energies", false]], "iterations() (psi4.core.hf method)": [[85, "psi4.core.HF.iterations", false]], "j() (psi4.core.jk method)": [[93, "psi4.core.JK.J", false]], "jk (class in psi4.core)": [[93, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[85, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1685, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[93, "psi4.core.JK.K", false]], "keywords": [[1721, "index-0", false], [1733, "index-0", false], [1742, "index-0", false], [1747, "index-0", false], [1753, "index-0", false], [1775, "index-1", false], [1781, "index-0", false], [1807, "index-0", false], [1813, "index-2", false], [1814, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1685, "term-KIND-ADC", true]], "kinetic() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.kinetic", false]], "kinetic_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.kinetic_grad", false]], "kineticint (class in psi4.core)": [[94, "psi4.core.KineticInt", false]], "kwargs_lower() (in module psi4.driver.p4util)": [[360, "psi4.driver.p4util.kwargs_lower", false]], "l (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.L", false]], "label() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.label", false]], "label() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.label", false]], "lagrangian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.lagrangian", false]], "laplacedenominator (class in psi4.core)": [[96, "psi4.core.LaplaceDenominator", false]], "lcc2 (+lmp2) total energy": [[1757, "psivar-LCC2-LMP2-TOTAL-ENERGY", false]], "lccd correlation energy": [[1757, "psivar-LCCD-CORRELATION-ENERGY", false]], "lccd doubles energy": [[1757, "psivar-LCCD-DOUBLES-ENERGY", false]], "lccd opposite-spin correlation energy": [[1757, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1757, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1757, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1757, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1752, "index-1", false]], "lccsd (+lmp2) total energy": [[1757, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd correlation energy": [[1757, "psivar-LCCSD-CORRELATION-ENERGY", false]], "lccsd doubles energy": [[1757, "psivar-LCCSD-DOUBLES-ENERGY", false]], "lccsd opposite-spin correlation energy": [[1757, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccsd same-spin correlation energy": [[1757, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccsd singles energy": [[1757, "psivar-LCCSD-SINGLES-ENERGY", false]], "lccsd total energy": [[1757, "psivar-LCCSD-TOTAL-ENERGY", false]], "left-right cc2 eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", false]], "left-right cc3 eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", false]], "left-right ccsd eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", false]], "left-right ccsd(t) eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", false]], "level_shift (dfocc)": [[1685, "term-LEVEL_SHIFT-DFOCC", true]], "level_shift (mcscf)": [[1685, 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module psi4.core)": [[215, "psi4.core.libint2_solid_harmonics_ordering", false]], "library fragments": [[1763, "index-1", false], [1763, "index-5", false]], "libxc": [[1765, "index-0", false]], "libxcfunctional (class in psi4.core)": [[97, "psi4.core.LibXCFunctional", false]], "license": [[1762, "index-2", false]], "light (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.light", false]], "light_color (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.light_color", false]], "linear (ccresponse)": [[1685, "term-LINEAR-CCRESPONSE", true]], "lineq_solver (dfocc)": [[1685, "term-LINEQ_SOLVER-DFOCC", true]], "lineshape (class in psi4.driver.p4util)": [[325, "psi4.driver.p4util.Lineshape", false]], "lineshape() (psi4.driver.p4util.gaussian method)": [[323, "psi4.driver.p4util.Gaussian.lineshape", false]], "lineshape() (psi4.driver.p4util.lineshape method)": [[325, "psi4.driver.p4util.Lineshape.lineshape", false]], "lineshape() 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"term-LOCAL_CPHF_CUTOFF-CCENERGY", true]], "local_cphf_cutoff (cclambda)": [[1685, "term-LOCAL_CPHF_CUTOFF-CCLAMBDA", true]], "local_cphf_cutoff (ccresponse)": [[1685, "term-LOCAL_CPHF_CUTOFF-CCRESPONSE", true]], "local_cutoff (ccenergy)": [[1685, "term-LOCAL_CUTOFF-CCENERGY", true]], "local_cutoff (cceom)": [[1685, "term-LOCAL_CUTOFF-CCEOM", true]], "local_cutoff (cclambda)": [[1685, "term-LOCAL_CUTOFF-CCLAMBDA", true]], "local_cutoff (ccresponse)": [[1685, "term-LOCAL_CUTOFF-CCRESPONSE", true]], "local_do_singles (cceom)": [[1685, "term-LOCAL_DO_SINGLES-CCEOM", true]], "local_filter_singles (cceom)": [[1685, "term-LOCAL_FILTER_SINGLES-CCEOM", true]], "local_filter_singles (cclambda)": [[1685, "term-LOCAL_FILTER_SINGLES-CCLAMBDA", true]], "local_filter_singles (ccresponse)": [[1685, "term-LOCAL_FILTER_SINGLES-CCRESPONSE", true]], "local_ibo_condition (fisapt)": [[1685, "term-LOCAL_IBO_CONDITION-FISAPT", true]], "local_ibo_power (fisapt)": [[1685, "term-LOCAL_IBO_POWER-FISAPT", true]], "local_ibo_stars (fisapt)": [[1685, "term-LOCAL_IBO_STARS-FISAPT", true]], "local_ibo_stars_completeness (fisapt)": [[1685, "term-LOCAL_IBO_STARS_COMPLETENESS-FISAPT", true]], "local_ibo_use_stars (fisapt)": [[1685, "term-LOCAL_IBO_USE_STARS-FISAPT", true]], "local_maxiter (dlpno)": [[1685, "term-LOCAL_MAXITER-DLPNO", true]], "local_maxiter (fisapt)": [[1685, "term-LOCAL_MAXITER-FISAPT", true]], "local_maxiter (scf)": [[1685, "term-LOCAL_MAXITER-SCF", true]], "local_method (ccenergy)": [[1685, "term-LOCAL_METHOD-CCENERGY", true]], "local_method (cceom)": [[1685, "term-LOCAL_METHOD-CCEOM", true]], "local_method (cclambda)": [[1685, "term-LOCAL_METHOD-CCLAMBDA", true]], "local_method (ccresponse)": [[1685, "term-LOCAL_METHOD-CCRESPONSE", true]], "local_pairdef (ccenergy)": [[1685, "term-LOCAL_PAIRDEF-CCENERGY", true]], "local_pairdef (cclambda)": [[1685, "term-LOCAL_PAIRDEF-CCLAMBDA", true]], "local_pairdef (ccresponse)": [[1685, "term-LOCAL_PAIRDEF-CCRESPONSE", true]], 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"psi4.core.Functional.lsda_cutoff", false]], "lse (detci)": [[1685, "term-LSE-DETCI", true]], "lse_collapse (detci)": [[1685, "term-LSE_COLLAPSE-DETCI", true]], "lse_tolerance (detci)": [[1685, "term-LSE_TOLERANCE-DETCI", true]], "madmp2_sleep (dfmp2)": [[1685, "term-MADMP2_SLEEP-DFMP2", true]], "make_filename() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.make_filename", false]], "managedmethoderror": [[269, "psi4.driver.ManagedMethodError", false]], "mark_file_for_retention() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.mark_file_for_retention", false]], "mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.mass", false]], "mass_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.mass_number", false]], "mat2arr() (in module psi4.driver.p4util)": [[364, "psi4.driver.p4util.mat2arr", false]], "mat_num_column_print (globals)": [[1685, "term-MAT_NUM_COLUMN_PRINT-GLOBALS", true]], "math_root": [[1719, "envvar-MATH_ROOT", false]], 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true]], "max_force_g_convergence (optking)": [[1685, "term-MAX_FORCE_G_CONVERGENCE-OPTKING", true]], "max_function_per_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.max_function_per_shell", false]], "max_functions() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.max_functions", false]], "max_functions() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.max_functions", false]], "max_mem_buf (scf)": [[1685, "term-MAX_MEM_BUF-SCF", true]], "max_mograd_convergence (dfocc)": [[1685, "term-MAX_MOGRAD_CONVERGENCE-DFOCC", true]], "max_mograd_convergence (occ)": [[1685, "term-MAX_MOGRAD_CONVERGENCE-OCC", true]], "max_nbody (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.max_nbody", false]], "max_nprimitive() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.max_nprimitive", false]], "max_num_vecs (adc)": [[1685, "term-MAX_NUM_VECS-ADC", true]], "max_num_vecs (detci)": [[1685, "term-MAX_NUM_VECS-DETCI", true]], "max_points() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.max_points", false]], "max_points() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.max_points", false]], "max_points() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.max_points", false]], "max_radial_moment (globals)": [[1685, "term-MAX_RADIAL_MOMENT-GLOBALS", true]], "maximum() (psi4.driver.p4util.gaussian method)": [[323, "psi4.driver.p4util.Gaussian.maximum", false]], "maximum() (psi4.driver.p4util.lineshape method)": [[325, "psi4.driver.p4util.Lineshape.maximum", false]], "maximum() (psi4.driver.p4util.lorentzian method)": [[326, "psi4.driver.p4util.Lorentzian.maximum", false]], "maxiter (adc)": [[1685, "term-MAXITER-ADC", true]], "maxiter (ccenergy)": [[1685, "term-MAXITER-CCENERGY", true]], "maxiter (cceom)": [[1685, "term-MAXITER-CCEOM", true]], "maxiter (cclambda)": [[1685, "term-MAXITER-CCLAMBDA", true]], "maxiter (ccresponse)": [[1685, "term-MAXITER-CCRESPONSE", true]], "maxiter (dct)": [[1685, "term-MAXITER-DCT", true]], "maxiter (fisapt)": [[1685, "term-MAXITER-FISAPT", true]], "maxiter (fnocc)": [[1685, "term-MAXITER-FNOCC", true]], "maxiter (mcscf)": [[1685, "term-MAXITER-MCSCF", true]], "maxiter (pe)": [[1685, "term-MAXITER-PE", true]], "maxiter (psimrcc)": [[1685, "term-MAXITER-PSIMRCC", true]], "maxiter (sapt)": [[1685, "term-MAXITER-SAPT", true]], "maxiter (scf)": [[1685, "term-MAXITER-SCF", true]], "maxr() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.maxR", false]], "mayer indices": [[1757, "psivar-MAYER-INDICES", false]], "mbis": [[1780, "index-1", false]], "mbis charges": [[1757, "psivar-MBIS-CHARGES", false]], "mbis dipoles": [[1757, "psivar-MBIS-DIPOLES", false]], "mbis free atom n volume": [[1757, "psivar-MBIS-FREE-ATOM-n-VOLUME", false]], "mbis octupoles": [[1757, "psivar-MBIS-OCTUPOLES", false]], "mbis quadrupoles": [[1757, "psivar-MBIS-QUADRUPOLES", false]], "mbis radial moments <r^3>": [[1757, "psivar-MBIS-RADIAL-MOMENTS-R-3", false]], "mbis valence widths": [[1757, "psivar-MBIS-VALENCE-WIDTHS", false]], "mbis volume ratios": [[1757, "psivar-MBIS-VOLUME-RATIOS", false]], "mbis_d_convergence (globals)": [[1685, "term-MBIS_D_CONVERGENCE-GLOBALS", true]], "mbis_maxiter (globals)": [[1685, "term-MBIS_MAXITER-GLOBALS", true]], "mbis_pruning_scheme (globals)": [[1685, "term-MBIS_PRUNING_SCHEME-GLOBALS", true]], "mbis_radial_points (globals)": [[1685, "term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1685, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1770, "index-0", false], [1770, "index-1", false]], "mcscf total energy": [[1757, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[216, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1685, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1685, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type (detci)": [[1685, "term-MCSCF_DIIS_ERROR_TYPE-DETCI", true]], "mcscf_diis_freq (detci)": [[1685, "term-MCSCF_DIIS_FREQ-DETCI", true]], "mcscf_diis_max_vecs (detci)": [[1685, "term-MCSCF_DIIS_MAX_VECS-DETCI", true]], "mcscf_diis_start (detci)": [[1685, "term-MCSCF_DIIS_START-DETCI", true]], "mcscf_dpd_cleanup (detci)": [[1685, "term-MCSCF_DPD_CLEANUP-DETCI", true]], "mcscf_e_convergence (detci)": [[1685, "term-MCSCF_E_CONVERGENCE-DETCI", true]], "mcscf_guess (detci)": [[1685, "term-MCSCF_GUESS-DETCI", true]], "mcscf_max_rot (detci)": [[1685, "term-MCSCF_MAX_ROT-DETCI", true]], "mcscf_maxiter (detci)": [[1685, "term-MCSCF_MAXITER-DETCI", true]], "mcscf_object() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.mcscf_object", false]], "mcscf_r_convergence (detci)": [[1685, "term-MCSCF_R_CONVERGENCE-DETCI", true]], "mcscf_rotate (detci)": [[1685, "term-MCSCF_ROTATE-DETCI", true]], "mcscf_so_start_e (detci)": [[1685, "term-MCSCF_SO_START_E-DETCI", true]], "mcscf_so_start_grad (detci)": [[1685, "term-MCSCF_SO_START_GRAD-DETCI", true]], "mcscf_type (detci)": [[1685, "term-MCSCF_TYPE-DETCI", true]], "mdi_run() (in module psi4.driver)": [[313, "psi4.driver.mdi_run", false]], "memdfjk (class in psi4.core)": [[103, "psi4.core.MemDFJK", false]], "memory": [[1813, "index-1", false]], "memory_estimate() (psi4.core.jk method)": [[93, "psi4.core.JK.memory_estimate", false]], "message (psi4.driver.convergenceerror attribute)": [[267, "psi4.driver.ConvergenceError.message", false]], "message (psi4.driver.managedmethoderror attribute)": [[269, "psi4.driver.ManagedMethodError.message", false]], "message (psi4.driver.missingmethoderror attribute)": [[270, "psi4.driver.MissingMethodError.message", false]], "message (psi4.driver.optimizationconvergenceerror attribute)": [[271, "psi4.driver.OptimizationConvergenceError.message", false]], "message (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.message", false]], "message (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.message", false]], "message (psi4.driver.testcomparisonerror attribute)": [[279, "psi4.driver.TestComparisonError.message", false]], "message (psi4.driver.validationerror attribute)": [[281, "psi4.driver.ValidationError.message", false]], "message_box() (in module psi4.driver)": [[314, "psi4.driver.message_box", false]], "message_box() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.message_box", false]], "meta_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.meta_cutoff", false]], "metadata (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.metadata", false]], "metameta (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.metameta", false]], "metameta (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.metameta", false]], "method (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.method", false]], "method (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.method", false]], "method (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.method", false]], "method (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.method", false]], "method alias": [[1815, "index-0", false]], "metric() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.metric", false]], "metric_inv() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.metric_inv", false]], "min_ccd_diisvecs (sapt)": [[1685, "term-MIN_CCD_DIISVECS-SAPT", true]], "minao_basis (fisapt)": [[1685, "term-MINAO_BASIS-FISAPT", true]], "minima": [[1783, "index-1", false]], "mintshelper (class in psi4.core)": [[104, "psi4.core.MintsHelper", false]], "mintshelper() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.mintshelper", false]], "mintshelper() (psi4.core.rhf method)": [[129, "psi4.core.RHF.mintshelper", false]], "mintshelper() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.mintshelper", false]], "mintshelper() (psi4.core.uhf method)": [[146, "psi4.core.UHF.mintshelper", false]], "mintshelper() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.mintshelper", false]], "missingmethoderror": [[270, "psi4.driver.MissingMethodError", false]], "mixed (detci)": [[1685, "term-MIXED-DETCI", true]], "mixed4 (detci)": [[1685, "term-MIXED4-DETCI", true]], "mk-mrcc": [[1810, "index-0", false]], "mkl_num_threads": [[1748, "envvar-MKL_NUM_THREADS", false], [1748, "index-8", false]], "mkl_root": [[1719, "envvar-MKL_ROOT", false]], "mo_diis_num_vecs (dfocc)": [[1685, "term-MO_DIIS_NUM_VECS-DFOCC", true]], "mo_elec_dip_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_elec_dip_deriv1", false]], "mo_erf_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_erf_eri", false]], "mo_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_eri", false]], "mo_extents() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.mo_extents", false]], "mo_f12() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_f12", false]], "mo_f12_double_commutator() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_f12_double_commutator", false]], "mo_f12_squared() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_f12_squared", false]], "mo_f12g12() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_f12g12", false]], "mo_maxiter (dfocc)": [[1685, "term-MO_MAXITER-DFOCC", true]], "mo_maxiter (occ)": [[1685, "term-MO_MAXITER-OCC", true]], "mo_oei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_oei_deriv1", false]], "mo_oei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_oei_deriv2", false]], "mo_overlap_half_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_overlap_half_deriv1", false]], "mo_read (mcscf)": [[1685, "term-MO_READ-MCSCF", true]], "mo_read (occ)": [[1685, "term-MO_READ-OCC", true]], "mo_spin_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_spin_eri", false]], "mo_step_max (dfocc)": [[1685, "term-MO_STEP_MAX-DFOCC", true]], "mo_step_max (occ)": [[1685, "term-MO_STEP_MAX-OCC", true]], "mo_tei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_tei_deriv1", false]], "mo_tei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_tei_deriv2", false]], "mo_transform() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_transform", false]], "mo_write (occ)": [[1685, "term-MO_WRITE-OCC", true]], "module": [[1753, "module-psi4.driver.qcdb.vib", false], [1808, "module-psi4.core", false], [1808, "module-psi4.driver", false], [1808, "module-psi4.driver.p4util", false]], "module (cphf)": [[1685, "term-MODULE-CPHF", true]], "module() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.module", false]], "mofa() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFa", false]], "mofb() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFb", false]], "mofeff() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFeff", false]], "mograd_damping (occ)": [[1685, "term-MOGRAD_DAMPING-OCC", true]], "molden": [[1772, "index-0", false]], "molden() (in module psi4.driver)": [[315, "psi4.driver.molden", false]], "molden_with_virtual (globals)": [[1685, "term-MOLDEN_WITH_VIRTUAL-GLOBALS", true]], "molden_write (dfocc)": [[1685, "term-MOLDEN_WRITE-DFOCC", true]], "molden_write (scf)": [[1685, "term-MOLDEN_WRITE-SCF", true]], "moldenwriter (class in psi4.core)": [[105, "psi4.core.MoldenWriter", false]], "molecular_charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.molecular_charge", false]], "moleculargrid (class in psi4.core)": [[106, "psi4.core.MolecularGrid", false]], "molecule": [[1763, "index-4", false], [1814, "index-0", false], [1814, "index-1", false], [1814, "index-2", false], [1814, "index-3", false], [1814, "index-4", false], [1814, "index-5", false], [1814, "index-7", false]], "molecule (class in psi4.core)": [[107, "psi4.core.Molecule", false]], "molecule (class in psi4.driver.qcdb)": [[1749, "psi4.driver.qcdb.Molecule", false]], "molecule (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.molecule", false]], "molecule (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.molecule", false]], "molecule (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.molecule", false]], "molecule (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.molecule", false]], "molecule specification": [[1763, "index-4", false]], "molecule() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.molecule", false]], "molecule() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.molecule", false]], "molecule() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.molecule", false]], "molecule_get_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_get_attr", false]], "molecule_set_attr() (in module psi4.driver)": [[317, "psi4.driver.molecule_set_attr", false]], "mom": [[1819, "index-2", false]], "mom_excited_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.MOM_excited_", false]], "mom_occ (scf)": [[1685, "term-MOM_OCC-SCF", true]], "mom_performed_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.MOM_performed_", false]], "mom_start (scf)": [[1685, "term-MOM_START-SCF", true]], "mom_vir (scf)": [[1685, "term-MOM_VIR-SCF", true]], "montage": [[1731, "envvar-MONTAGE", false], [1731, "index-2", false]], "mospace (class in psi4.core)": [[99, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[100, "psi4.core.MOWriter", false]], "mp2": [[1737, "index-0", false]], "mp2 alpha-alpha pair energies": [[1757, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1757, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1757, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1757, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1757, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1757, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1757, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1757, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1757, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1757, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1757, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1757, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1757, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1757, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1757, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1757, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1757, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1757, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1757, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1757, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1685, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1685, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1685, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1685, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1685, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1685, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1685, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1685, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1685, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1685, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1685, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1685, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1685, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1685, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1685, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1685, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1685, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1685, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1685, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1757, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1757, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1757, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1757, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1757, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1757, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1752, "index-1", false]], "mp4 correlation energy": [[1757, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1757, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1757, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1757, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1757, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1757, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1757, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1685, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1685, "term-MPN-DETCI", true]], "mpn correlation energy": [[1757, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1757, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1685, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1685, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1685, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1773, "index-0", false]], "mrcc total energy": [[1757, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[217, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1685, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[218, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1685, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1685, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1685, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1685, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1685, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1685, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1757, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1685, "term-MS0-DETCI", true]], "mtd 128-pole": [[1757, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1757, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1757, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1757, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1757, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1757, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1757, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1757, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1770, "index-2", false]], "multiple fragments": [[1814, "index-7", false]], "multiple in input file": [[1814, "index-1", false]], "multiple within molecule": [[1711, "index-1", false]], "multiplicity": [[1814, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[108, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[109, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1810, "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)": [[110, "psi4.core.NablaInt", false]], "nallatom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nallatom", false]], "nalpha() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nalpha", false]], "nalphapi() (psi4.core.wavefunction method)": [[151, "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)": [[80, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[89, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[149, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, 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[[1685, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1757, "psivar-NAUX-CC", false]], "naux (scf)": [[1757, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[148, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1757, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1757, "psivar-NBODY-NUMBER", false]], "nbody() (in 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"term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[330, "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)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nfragments", false]], "nfrzc() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nfrzc", false]], "nfunction (psi4.core.gaussianshell attribute)": [[82, "psi4.core.GaussianShell.nfunction", false]], "ngamma() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.ngamma", false]], "nil() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.nil", false]], "nirrep() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.nirrep", false]], "nirrep() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.nirrep", false]], "nirrep() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.nirrep", false]], "nirrep() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.nirrep", false]], "nirrep() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.nirrep", false]], "nirrep() (psi4.core.vector method)": [[149, "psi4.core.Vector.nirrep", false]], "nirrep() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nirrep", false]], "nl_dispersion_parameters (scf)": [[1685, "term-NL_DISPERSION_PARAMETERS-SCF", true]], "nmo() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nmo", false]], "nmopi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nmopi", false]], "no_dfile (detci)": [[1685, "term-NO_DFILE-DETCI", true]], "no_occupations() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.no_occupations", false]], "no_reorient": [[1814, "index-2", false]], "no_singles (psimrcc)": [[1685, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1685, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[149, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[149, "psi4.core.Vector.np_read", false]], "np_write() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.np_write", false]], "np_write() (psi4.core.vector method)": [[149, "psi4.core.Vector.np_write", false]], "nph (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.nph", false]], "nph (psi4.core.vector attribute)": [[149, "psi4.core.Vector.nph", false]], "npoints() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.npoints", false]], "npoints() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.npoints", false]], "nprimitive (psi4.core.gaussianshell attribute)": [[82, "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)": [[151, 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true]], "num_amps_print (ccresponse)": [[1685, "term-NUM_AMPS_PRINT-CCRESPONSE", true]], "num_amps_print (detci)": [[1685, "term-NUM_AMPS_PRINT-DETCI", true]], "num_core_orbitals (adc)": [[1685, "term-NUM_CORE_ORBITALS-ADC", true]], "num_dets_print (detci)": [[1685, "term-NUM_DETS_PRINT-DETCI", true]], "num_frozen_docc (globals)": [[1685, "term-NUM_FROZEN_DOCC-GLOBALS", true]], "num_frozen_uocc (globals)": [[1685, "term-NUM_FROZEN_UOCC-GLOBALS", true]], "num_guesses (adc)": [[1685, "term-NUM_GUESSES-ADC", true]], "num_init_vecs (detci)": [[1685, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1685, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[111, "psi4.core.NumIntHelper", false]], "numpy": [[1778, "index-0", false]], "occ() (in module psi4.core)": [[219, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.occ", false]], "occ_orbs_print (dfocc)": [[1685, "term-OCC_ORBS_PRINT-DFOCC", true]], "occ_orbs_print (occ)": [[1685, "term-OCC_ORBS_PRINT-OCC", true]], "occ_percentage (fnocc)": [[1685, "term-OCC_PERCENTAGE-FNOCC", true]], "occ_tolerance (fnocc)": [[1685, "term-OCC_TOLERANCE-FNOCC", true]], "occ_tolerance (sapt)": [[1685, "term-OCC_TOLERANCE-SAPT", true]], "occupation_a() (psi4.core.hf method)": [[85, "psi4.core.HF.occupation_a", false]], "occupation_b() (psi4.core.hf method)": [[85, "psi4.core.HF.occupation_b", false]], "ocepa(0) correlation energy": [[1757, "psivar-OCEPA-0-CORRELATION-ENERGY", false]], "ocepa(0) total energy": [[1757, "psivar-OCEPA-0-TOTAL-ENERGY", false]], "odc_guess (dct)": [[1685, "term-ODC_GUESS-DCT", true]], "oeprop": [[1780, "index-0", false]], "oeprop (class in psi4.core)": [[112, "psi4.core.OEProp", false]], "oeprop (dfocc)": [[1685, "term-OEPROP-DFOCC", true]], "oeprop (occ)": [[1685, "term-OEPROP-OCC", true]], "oeprop() (in module psi4.driver)": [[318, "psi4.driver.oeprop", false]], "oeprop() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.oeprop", false]], "offdiagonal_ccsd_t (psimrcc)": [[1685, "term-OFFDIAGONAL_CCSD_T-PSIMRCC", true]], "olccd": [[1779, "index-1", false], [1779, "index-5", false]], "olccd correlation energy": [[1757, "psivar-OLCCD-CORRELATION-ENERGY", false]], "olccd doubles energy": [[1757, "psivar-OLCCD-DOUBLES-ENERGY", false]], "olccd opposite-spin correlation energy": [[1757, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "olccd reference correction energy": [[1757, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", false]], "olccd same-spin correlation energy": [[1757, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "olccd singles energy": [[1757, "psivar-OLCCD-SINGLES-ENERGY", false]], "olccd total energy": [[1757, "psivar-OLCCD-TOTAL-ENERGY", false]], "omega (ccresponse)": [[1685, "term-OMEGA-CCRESPONSE", true]], "omega() (psi4.core.functional method)": [[81, 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false], [1225, "index-0", false], [1241, "index-0", false], [1685, "index-0", false], [1685, "index-1", false], [1724, "index-9", false], [1748, "envvar-OMP_NUM_THREADS", false], [1748, "index-14", false], [1748, "index-7", false]], "one-electron energy": [[1757, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[113, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[114, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1685, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1685, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1685, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1685, "term-OPDM-DCT", true]], "opdm (detci)": [[1685, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, 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"psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[271, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1781, "index-0", false]], "optimize() (in module psi4.driver)": [[320, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[321, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[220, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[115, "psi4.core.Options", false]], "options() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.options", false]], "options_to_python() (in module psi4.core)": [[221, "psi4.core.options_to_python", false]], "optionsstate (class in psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsState", false]], "optionsstatecm() (in module psi4.driver.p4util)": [[329, "psi4.driver.p4util.OptionsStateCM", false]], "optionstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionState", false]], "orb_opt (dfocc)": [[1685, "term-ORB_OPT-DFOCC", true]], "orb_opt (occ)": [[1685, "term-ORB_OPT-OCC", true]], "orb_resp_solver (dfocc)": [[1685, "term-ORB_RESP_SOLVER-DFOCC", true]], "orb_resp_solver (occ)": [[1685, "term-ORB_RESP_SOLVER-OCC", true]], "orbital-optimized methods": [[1779, "index-1", false]], "orbital-optimized methods, olccd": [[1779, "index-0", false]], "orbital-optimized methods, omp2": [[1779, "index-0", false]], "orbital-optimized methods, omp2.5": [[1779, "index-0", false]], "orbital-optimized methods, omp3": [[1779, "index-0", false]], "orbital_level_shift (dct)": [[1685, "term-ORBITAL_LEVEL_SHIFT-DCT", true]], "orbital_values() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.orbital_values", false]], "orbitals_write (scf)": [[1685, "term-ORBITALS_WRITE-SCF", true]], "orbitalspace (class in psi4.core)": [[116, "psi4.core.OrbitalSpace", false]], "order() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.order", false]], "order() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.order", false]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.ordered_params", false]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params", false]], "oremp": [[1779, "index-6", false]], "oremp2 correlation energy": [[1757, "psivar-OREMP2-CORRELATION-ENERGY", false]], "oremp2 doubles energy": [[1757, "psivar-OREMP2-DOUBLES-ENERGY", false]], "oremp2 opposite-spin correlation energy": [[1757, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "oremp2 reference correction energy": [[1757, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", false]], "oremp2 same-spin correlation energy": [[1757, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "oremp2 singles energy": [[1757, "psivar-OREMP2-SINGLES-ENERGY", false]], "oremp2 total energy": [[1757, "psivar-OREMP2-TOTAL-ENERGY", false]], "orientation() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.orientation", false]], "orientation_fixed() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.orientation_fixed", false]], "origin (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.origin", false]], "original_coef() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.original_coef", false]], "orth_type (dfocc)": [[1685, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1685, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1685, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[222, "psi4.core.outfile_name", false]], "output": [[1721, "index-2", false], [1733, "index-3", false], [1783, "index-4", false], [1818, "index-5", false], [1824, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.overlap", false]], "overlap_3c() 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[[272, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[273, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [107, "index-0", false], [1719, "index-1", false], [1719, "index-10", false], [1719, "index-11", false], [1719, "index-12", false], [1719, "index-13", false], [1719, "index-14", false], [1719, "index-15", false], [1719, "index-16", false], [1719, "index-17", false], [1719, "index-18", false], [1719, "index-19", false], [1719, "index-24", false], [1719, "index-25", false], [1719, "index-26", false], [1719, "index-5", false], [1719, "index-7", false], [1724, "index-1", false], [1724, "index-3", false], [1724, "index-5", false], [1724, "index-7", false], [1729, "index-0", false], [1729, "index-3", false], [1729, "index-5", false], [1729, "index-6", false], [1729, "index-7", false], [1740, "index-1", false], [1748, "envvar-PATH", false], [1748, "index-17", false], [1748, "index-18", false], [1755, "index-1", false], [1755, "index-2", false], [1773, "index-1", false]], "pbs queueing system": [[1748, "index-9", false]], "pcg_beta_type (dfocc)": [[1685, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1685, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1685, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1685, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1685, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1685, "term-PCG_MAXITER-OCC", true]], "pcm": [[1735, "index-0", false], [1784, "index-0", false], [1784, "index-1", false]], "pcm (globals)": [[1685, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1757, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1685, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() 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"psi4.core.MintsHelper.perturb_grad", false]], "perturb_h (scf)": [[1685, "term-PERTURB_H-SCF", true]], "perturb_magnitude (detci)": [[1685, "term-PERTURB_MAGNITUDE-DETCI", true]], "perturb_magnitude (scf)": [[1685, "term-PERTURB_MAGNITUDE-SCF", true]], "perturb_with (scf)": [[1685, "term-PERTURB_WITH-SCF", true]], "petite_list() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.petite_list", false]], "petite_list() (psi4.core.sobasisset method)": [[133, "psi4.core.SOBasisSet.petite_list", false]], "petite_list1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.petite_list1", false]], "petitelist (class in psi4.core)": [[119, "psi4.core.PetiteList", false]], "phi_points (scf)": [[1685, "term-PHI_POINTS-SCF", true]], "physconst": [[1687, "index-0", false]], "physical constants": [[1813, "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)": [[1685, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1685, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[266, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1749, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.play", false]], "plugin": [[1788, "index-0", false]], "plugin() (in module psi4.core)": [[223, "psi4.core.plugin", false]], "plugin_close() (in module psi4.core)": [[224, "psi4.core.plugin_close", false]], "plugin_close_all() (in module psi4.core)": [[225, "psi4.core.plugin_close_all", false]], "plugin_load() (in module psi4.core)": [[226, "psi4.core.plugin_load", false]], "plump_qcvar() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.plump_qcvar", false]], "pmlocalizer (class in psi4.core)": [[118, "psi4.core.PMLocalizer", false]], "pno_convergence (dlpno)": [[1685, "term-PNO_CONVERGENCE-DLPNO", true]], "point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.point_group", false]], "point_values() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.point_values", false]], "pointfunctions (class in psi4.core)": [[120, "psi4.core.PointFunctions", false]], "pointgroup (class in psi4.core)": [[121, "psi4.core.PointGroup", false]], "points (findif)": [[1685, "term-POINTS-FINDIF", true]], "pop() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.pop", false]], "populateextern() (psi4.driver.qmmmbohr method)": [[276, "psi4.driver.QMMMbohr.populateExtern", false]], "position_camera() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.position_camera", false]], "potential_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.potential_grad", false]], "potential_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.potential_integral", false]], "potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.potential_variable", false]], "potential_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.potential_variables", false]], "potentialint (class in psi4.core)": [[122, "psi4.core.PotentialInt", false]], "potfile (pe)": [[1685, "term-POTFILE-PE", true]], "power() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.power", false]], "ppl_type (dfocc)": [[1685, "term-PPL_TYPE-DFOCC", true]], "precondition() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.precondition", false]], "preconditioner (detci)": [[1685, "term-PRECONDITIONER-DETCI", true]], "prefactor_ecd() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_ecd", false]], "prefactor_opa() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prefactor_opa", false]], "prepare_options_for_module() (in module psi4.core)": [[227, "psi4.core.prepare_options_for_module", false]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_modules", false]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[372, "psi4.driver.p4util.prepare_options_for_set_options", false]], "prepare_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.prepare_results", false]], "prerequisites": [[1719, "index-0", false]], "presort_so_tei() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.presort_so_tei", false]], "primitivetype (class in psi4.core)": [[123, "psi4.core.PrimitiveType", false]], "print (cphf)": [[1685, "term-PRINT-CPHF", true]], "print (efp)": [[1685, "term-PRINT-EFP", true]], "print (globals)": [[1685, "term-PRINT-GLOBALS", true]], "print (sapt)": [[1685, "term-PRINT-SAPT", true]], "print() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1685, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.print_density_threshold", false]], "print_detail() (psi4.core.functional method)": [[81, "psi4.core.Functional.print_detail", false]], "print_detail() (psi4.core.superfunctional method)": [[139, "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)": [[107, "psi4.core.Molecule.print_distances", false]], "print_dpd_lookup() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.print_dpd_lookup", false]], "print_energies() (psi4.core.hf method)": [[85, "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)": [[228, "psi4.core.print_global_options", false]], "print_global_options() (psi4.core.options method)": [[115, "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)": [[77, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[85, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[93, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[148, "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)": [[107, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[115, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[389, "psi4.driver.qcdb.vib.print_molden_vibs", false]], "print_mos (scf)": [[1685, "term-PRINT_MOS-SCF", true]], "print_noons (globals)": [[1685, "term-PRINT_NOONS-GLOBALS", true]], "print_opt_params (optking)": [[1685, "term-PRINT_OPT_PARAMS-OPTKING", true]], "print_options() (in module psi4.core)": [[229, "psi4.core.print_options", false]], "print_orbitals() (psi4.core.hf method)": [[85, "psi4.core.HF.print_orbitals", false]], "print_out() (in module psi4.core)": [[230, "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)": [[74, "psi4.core.ExternalPotential.print_out", false]], "print_out() (psi4.core.functional method)": [[81, "psi4.core.Functional.print_out", false]], "print_out() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.print_out", false]], "print_out() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.print_out", false]], "print_out() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.print_out", false]], "print_out() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out", false]], "print_out() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.print_out", false]], "print_out() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.print_out", false]], "print_out() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.print_out", false]], "print_out() (psi4.core.vector method)": [[149, "psi4.core.Vector.print_out", false]], "print_out() (psi4.driver.empiricaldispersion method)": [[268, "psi4.driver.EmpiricalDispersion.print_out", false]], "print_out_in_angstrom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_in_angstrom", false]], "print_out_in_bohr() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_in_bohr", false]], "print_out_of_planes() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_of_planes", false]], "print_preiterations() (psi4.core.hf method)": [[85, "psi4.core.HF.print_preiterations", false]], "print_rotational_constants() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_rotational_constants", false]], "print_stability_analysis() (psi4.core.hf method)": [[85, "psi4.core.HF.print_stability_analysis", false]], "print_tensor_pqq() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.print_tensor_pqQ", false]], "print_trailer() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.print_trailer", false]], "print_trajectory_xyz_file (optking)": [[1685, "term-PRINT_TRAJECTORY_XYZ_FILE-OPTKING", true]], "print_variables() (in module psi4.core)": [[231, "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)": [[390, "psi4.driver.qcdb.vib.print_vibs", false]], "priority (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.priority", false]], "process_grid (scf)": [[1685, "term-PROCESS_GRID-SCF", true]], "process_input() (in module psi4.driver)": [[381, "psi4.driver.process_input", false]], "process_input() (in module psi4.driver.inputparser)": [[1749, "psi4.driver.inputparser.process_input", false]], "project_densities() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.project_densities", false]], "prop (class in psi4.core)": [[124, "psi4.core.Prop", false]], "prop()": 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(ccenergy)": [[1685, "term-PROPERTY-CCENERGY", true]], "property (ccresponse)": [[1685, "term-PROPERTY-CCRESPONSE", true]], "protocols (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.protocols", false]], "protointvector (class in psi4.core)": [[125, "psi4.core.ProtoIntVector", false]], "protovector (class in psi4.core)": [[126, "psi4.core.ProtoVector", false]], "provenance() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.provenance", false]], "provenance_stamp() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.provenance_stamp", false]], "pseudoinverse() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.pseudoinverse", false]], "psi4 command line option": [[1748, "cmdoption-psi4-V", false], [1748, "cmdoption-psi4-a", false], [1748, "cmdoption-psi4-h", false], [1748, "cmdoption-psi4-i", false], [1748, "cmdoption-psi4-inplace", false], [1748, "cmdoption-psi4-k", false], [1748, "cmdoption-psi4-l", false], [1748, "cmdoption-psi4-loglevel", false], [1748, "cmdoption-psi4-m", false], [1748, "cmdoption-psi4-memory", false], [1748, "cmdoption-psi4-module", false], [1748, "cmdoption-psi4-n", false], [1748, "cmdoption-psi4-o", false], [1748, "cmdoption-psi4-psiapi-path", false], [1748, "cmdoption-psi4-qcschema", false], [1748, "cmdoption-psi4-s", false], [1748, "cmdoption-psi4-t", false], [1748, "cmdoption-psi4-v", false]], "psi4.core": [[1808, "module-psi4.core", false]], "psi4.driver": [[1808, "module-psi4.driver", false]], "psi4.driver.p4util": [[1808, "module-psi4.driver.p4util", false]], "psi4.driver.qcdb.vib": [[1753, "module-psi4.driver.qcdb.vib", false]], "psi4fockci": [[1786, "index-0", false]], "psi4rc": [[1748, "index-4", false]], "psi_scratch": [[1719, "index-27", false], [1729, "index-1", false], [1729, "index-2", false], [1729, "index-4", false], [1729, "index-8", false], [1748, "envvar-PSI_SCRATCH", false], [1748, "index-1", false], [1748, "index-12", false], [1748, "index-15", false], [1748, "index-19", false], [1748, "index-2", false], [1748, "index-3", false], [1748, "index-5", false]], "psi_top_srcdir() (in module psi4.core)": [[232, "psi4.core.psi_top_srcdir", false]], "psiclean() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.psiclean", false]], "psidatadir": [[195, "index-0", false], [246, "index-0", false], [1719, "index-3", false], [1719, "index-8", false], [1719, "index-9", false], [1748, "envvar-PSIDATADIR", false], [1748, "index-10", false], [1748, "index-13", false], [1748, "index-8", false], [1808, "index-2", false], [1808, "index-3", false]], "psiexception": [[274, "psi4.driver.PsiException", false]], "psimrcc() (in module psi4.core)": [[233, "psi4.core.psimrcc", false]], "psio_entry (class in psi4.core)": [[234, "psi4.core.psio_entry", false]], "psioh": [[1689, "index-0", false]], "psipath": [[107, "index-1", false], [1711, "index-4", false], [1711, "index-5", false], [1724, "index-2", false], [1724, "index-4", false], [1724, "index-6", false], [1724, "index-8", false], [1748, "envvar-PSIPATH", false], [1748, "index-11", false], [1748, "index-16", false], [1748, "index-20", false], [1748, "index-21", false], [1748, "index-22", false], [1748, "index-23", false], [1755, "index-3", false], [1763, "index-2", false], [1763, "index-3", false], [1789, "index-1", false], [1816, "index-1", false]], "psirc": [[1748, "index-4", false]], "psireturntype (class in psi4.core)": [[127, "psi4.core.PsiReturnType", false]], "pt_energy (psimrcc)": [[1685, "term-PT_ENERGY-PSIMRCC", true]], "pubchem": [[1814, "index-5", false]], "pure (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.Pure", false]], "puream (globals)": [[1685, "term-PUREAM-GLOBALS", true]], "push_back_external_potential() (psi4.core.hf method)": [[85, "psi4.core.HF.push_back_external_potential", false]], "pythonpath": [[2, "index-0", false], [1719, "index-2", false], [1719, "index-4", false], [1719, "index-6", false], [1733, "index-1", false], [1733, "index-2", false], [1740, "index-2", false], [1748, "envvar-PYTHONPATH", false], [1748, "index-24", false], [1787, "index-1", false], [1788, "index-1", false], [1788, "index-2", false], [1789, "index-0", false]], "q (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.q", false]], "qc_coupling (dct)": [[1685, "term-QC_COUPLING-DCT", true]], "qc_module (globals)": [[1685, "term-QC_MODULE-GLOBALS", true]], "qc_type (dct)": [[1685, "term-QC_TYPE-DCT", true]], "qchf (dfocc)": [[1685, "term-QCHF-DFOCC", true]], "qchf (scf)": [[1685, "term-QCHF-SCF", true]], "qcisd correlation energy": [[1757, "psivar-QCISD-CORRELATION-ENERGY", false]], "qcisd doubles energy": [[1757, "psivar-QCISD-DOUBLES-ENERGY", false]], "qcisd opposite-spin correlation energy": [[1757, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "qcisd same-spin correlation energy": [[1757, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", false]], "qcisd singles energy": [[1757, "psivar-QCISD-SINGLES-ENERGY", false]], "qcisd total energy": [[1757, "psivar-QCISD-TOTAL-ENERGY", false]], "qcisd(t)": [[1752, "index-1", false]], "qcisd(t) correction energy": [[1757, "psivar-QCISD-T-CORRECTION-ENERGY", false]], "qcisd(t) correlation energy": [[1757, "psivar-QCISD-T-CORRELATION-ENERGY", false]], "qcisd(t) total energy": [[1757, "psivar-QCISD-T-TOTAL-ENERGY", false]], "qmefp (efp)": [[1685, "term-QMEFP-EFP", true]], "qmmm (class in psi4.driver)": [[275, "psi4.driver.QMMM", false]], "qmmmbohr (class in psi4.driver)": [[276, "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)": [[148, "psi4.core.VBase.quadrature_values", false]], "quadrupoleint (class in psi4.core)": [[128, "psi4.core.QuadrupoleInt", false]], "query_libxc() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.query_libxc", false]], "quiet (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "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)": [[1685, "term-R4S-DETCI", true]], "r_a() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.R_A", false]], "r_b() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.R_B", false]], "r_convergence (adc)": [[1685, "term-R_CONVERGENCE-ADC", true]], "r_convergence (ccenergy)": [[1685, "term-R_CONVERGENCE-CCENERGY", true]], "r_convergence (cceom)": [[1685, "term-R_CONVERGENCE-CCEOM", true]], "r_convergence (cclambda)": [[1685, "term-R_CONVERGENCE-CCLAMBDA", true]], "r_convergence (ccresponse)": [[1685, "term-R_CONVERGENCE-CCRESPONSE", true]], "r_convergence (dct)": [[1685, "term-R_CONVERGENCE-DCT", true]], "r_convergence (detci)": [[1685, "term-R_CONVERGENCE-DETCI", true]], "r_convergence (dfocc)": [[1685, "term-R_CONVERGENCE-DFOCC", true]], "r_convergence (dlpno)": [[1685, "term-R_CONVERGENCE-DLPNO", true]], "r_convergence (fnocc)": [[1685, "term-R_CONVERGENCE-FNOCC", true]], "r_convergence (occ)": [[1685, "term-R_CONVERGENCE-OCC", true]], "r_convergence (psimrcc)": [[1685, "term-R_CONVERGENCE-PSIMRCC", true]], "r_points (scf)": [[1685, "term-R_POINTS-SCF", true]], "radial_scale (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.radial_scale", false]], "radii (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.radii", false]], "radius (scf)": [[1685, "term-RADIUS-SCF", true]], "random phase approximation": [[1822, "index-0", false]], "ranged_bend (optking)": [[1685, "term-RANGED_BEND-OPTKING", true]], "ranged_dihedral (optking)": [[1685, "term-RANGED_DIHEDRAL-OPTKING", true]], "ranged_distance (optking)": [[1685, "term-RANGED_DISTANCE-OPTKING", true]], "ranged_oofp (optking)": [[1685, "term-RANGED_OOFP-OPTKING", true]], "ras1 (globals)": [[1685, "term-RAS1-GLOBALS", true]], "ras2 (globals)": [[1685, "term-RAS2-GLOBALS", true]], "ras3 (globals)": [[1685, "term-RAS3-GLOBALS", true]], "ras34_max (detci)": [[1685, "term-RAS34_MAX-DETCI", true]], "ras3_max (detci)": [[1685, "term-RAS3_MAX-DETCI", true]], "ras4 (globals)": [[1685, "term-RAS4-GLOBALS", true]], "ras4_max (detci)": [[1685, "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)": [[77, "psi4.core.FISAPT.raw_plot", false]], "read() (psi4.core.civector method)": [[12, "psi4.core.CIVector.read", false]], "read_globals() (psi4.core.options method)": [[115, "psi4.core.Options.read_globals", false]], "read_scf_3index (dfocc)": [[1685, "term-READ_SCF_3INDEX-DFOCC", true]], "real (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.Real", false]], "reference (adc)": [[1685, "term-REFERENCE-ADC", true]], "reference (ccdensity)": [[1685, "term-REFERENCE-CCDENSITY", true]], "reference (ccenergy)": [[1685, "term-REFERENCE-CCENERGY", true]], "reference (cceom)": [[1685, "term-REFERENCE-CCEOM", true]], "reference (ccresponse)": [[1685, "term-REFERENCE-CCRESPONSE", true]], "reference (cctransort)": [[1685, "term-REFERENCE-CCTRANSORT", true]], "reference (cctriples)": [[1685, "term-REFERENCE-CCTRIPLES", true]], "reference (dct)": [[1685, "term-REFERENCE-DCT", true]], "reference (detci)": [[1685, "term-REFERENCE-DETCI", true]], "reference (mcscf)": [[1685, "term-REFERENCE-MCSCF", true]], "reference (scf)": [[1685, "term-REFERENCE-SCF", true]], "reference_sym (detci)": [[1685, "term-REFERENCE_SYM-DETCI", true]], "reference_wavefunction() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.reference_wavefunction", false]], "refresh() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.refresh", false]], "reg_param (dfocc)": [[1685, "term-REG_PARAM-DFOCC", true]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.register_composite_function", false]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.register_xtpl_function", false]], "regularization (dfocc)": [[1685, "term-REGULARIZATION-DFOCC", true]], "rehash() (psi4.core.io method)": [[87, "psi4.core.IO.rehash", false]], "reinterpret_coordentry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.reinterpret_coordentry", false]], "relativistic": [[1817, "index-0", false]], "relativistic (globals)": [[1685, "term-RELATIVISTIC-GLOBALS", true]], "relax_guess_orbitals (dct)": [[1685, "term-RELAX_GUESS_ORBITALS-DCT", true]], "relaxed (occ)": [[1685, "term-RELAXED-OCC", true]], "remove() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.remove", false]], "remove_symmetry() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.remove_symmetry", false]], "remp2 correlation energy": [[1757, "psivar-REMP2-CORRELATION-ENERGY", false]], "remp2 doubles energy": [[1757, "psivar-REMP2-DOUBLES-ENERGY", false]], "remp2 opposite-spin correlation energy": [[1757, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "remp2 same-spin correlation energy": [[1757, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "remp2 singles energy": [[1757, "psivar-REMP2-SINGLES-ENERGY", false]], "remp2 total energy": [[1757, "psivar-REMP2-TOTAL-ENERGY", false]], "remp_a (dfocc)": [[1685, "term-REMP_A-DFOCC", true]], "remp_a (occ)": [[1685, "term-REMP_A-OCC", true]], "reopen_outfile() (in module psi4.core)": [[235, "psi4.core.reopen_outfile", false]], "repl_otf (detci)": [[1685, "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)": [[85, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[85, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1685, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1748, "index-0", false]], "restart (ccenergy)": [[1685, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1685, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1685, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1685, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1685, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[328, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[327, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1685, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1685, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[237, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1685, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1685, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1685, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[129, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1685, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[130, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1685, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1685, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1685, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1685, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[131, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1685, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1685, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1685, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1685, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[101, "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)": [[1685, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1685, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1685, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1685, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[85, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1685, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rows", false]], "rpa": [[1822, "index-0", false]], "rsrfo_alpha_max (optking)": [[1685, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1685, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1685, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1685, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1724, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1740, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1740, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1755, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1685, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1685, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1685, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1685, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[151, "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)": [[1685, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1685, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1685, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1685, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1685, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1685, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1685, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1685, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1685, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1685, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1685, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1685, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[132, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[135, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[392, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[393, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1685, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1818, "index-0", false], [1818, "index-1", false], [1818, "index-2", false], [1818, "index-3", false], [1818, "index-4", false], [1818, "index-5", false]], "sapt (scf)": [[1685, "term-SAPT-SCF", true]], "sapt alpha": [[1757, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1757, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1757, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1757, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1757, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1757, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1757, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1757, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1757, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1757, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1757, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1757, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1757, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1757, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1757, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1757, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1757, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1757, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1757, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1757, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1757, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1757, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1757, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1757, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1757, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1757, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1757, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1757, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1757, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1757, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1757, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1757, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1757, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1757, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1757, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1757, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1757, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1757, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1757, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1757, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1757, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1757, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1757, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1757, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1757, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1757, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1757, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[238, "psi4.core.sapt", false]], "sapt(dft)": [[1818, "index-2", false]], "sapt0": [[1818, "index-1", false]], "sapt0 disp energy": [[1757, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1757, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1757, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1757, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1757, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1685, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1685, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1685, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1757, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1757, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1757, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1757, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1757, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1757, "psivar-1", false]], "sapt2+ elst energy": [[1757, "psivar-2", false]], "sapt2+ exch energy": [[1757, "psivar-3", false]], "sapt2+ ind energy": [[1757, "psivar-4", false]], "sapt2+ total energy": [[1757, "psivar-9", false]], "sapt2+(3) disp energy": [[1757, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1757, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1757, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1757, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1757, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1757, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1757, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1757, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1757, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1757, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1757, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1757, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1757, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1757, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1757, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1757, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1757, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1757, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1757, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1757, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1757, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1757, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1757, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1757, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1757, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1757, "psivar-5", false]], "sapt2+3 elst energy": [[1757, "psivar-6", false]], "sapt2+3 exch energy": [[1757, "psivar-7", false]], "sapt2+3 ind energy": [[1757, "psivar-8", false]], "sapt2+3 total energy": [[1757, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1757, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1757, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1757, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1757, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1757, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1757, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1757, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1757, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1757, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1757, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1757, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1757, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1757, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1757, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1757, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1757, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1757, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1757, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1757, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1757, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1685, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1685, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1685, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1685, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1685, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1685, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1685, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1685, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1685, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1685, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1685, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1685, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1685, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1685, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1685, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1685, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1685, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[149, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[85, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1685, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1685, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1685, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[136, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[239, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[240, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[149, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[241, "psi4.core.scatter", false]], "scf": [[1819, "index-0", false], [1819, "index-1", false]], "scf dipole": [[1757, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1757, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1757, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1757, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1757, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1757, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1757, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1757, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[394, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1685, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1685, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1685, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1685, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1685, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1685, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1685, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1685, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[85, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[395, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[277, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[242, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[243, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1685, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.scramble", false]], "scratch files": [[1748, "index-0", false]], "screening (globals)": [[1685, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1757, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1757, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1757, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1757, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1757, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1757, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1757, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1757, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1757, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1757, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1757, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1757, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1757, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1757, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1757, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1757, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1685, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1685, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1685, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1685, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1685, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1685, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1685, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1757, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1757, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1685, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1685, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1685, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1685, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1685, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1685, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1685, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[85, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.set", false]], "set() (psi4.core.vector method)": [[149, "psi4.core.Vector.set", false]], "set_aa_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_aa_int_name", false]], "set_ab_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_ab_int_name", false]], "set_active_fragment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_active_fragment", false]], "set_active_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_active_fragments", false]], "set_active_molecule() (in module psi4.core)": [[244, "psi4.core.set_active_molecule", false]], "set_alpha() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_alpha", false]], "set_ansatz() (psi4.core.pointfunctions method)": [[120, "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)": [[115, "psi4.core.Options.set_array", false]], "set_array() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[245, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[91, "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)": [[89, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[149, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[115, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[324, "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)": [[81, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[107, "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)": [[115, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[93, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[246, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[324, "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)": [[81, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[139, "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)": [[139, "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)": [[81, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[115, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[85, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[247, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[248, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[151, "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)": [[107, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[115, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[249, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[250, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[396, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[375, "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)": [[91, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[93, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[251, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[81, "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)": [[266, "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)": [[151, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[397, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[107, "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)": [[81, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "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)": [[107, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[252, "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)": [[81, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[398, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[377, "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)": [[91, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1749, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[253, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[81, "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)": [[87, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[93, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[254, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[115, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[85, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[85, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[255, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[151, "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)": [[324, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[115, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[115, "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)": [[91, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[91, "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)": [[97, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[256, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[93, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.setName", false]], "setting": [[1721, "index-0", false], [1733, "index-0", false], [1742, "index-0", false], [1747, "index-0", false], [1753, "index-0", false], [1775, "index-1", false], [1781, "index-0", false], [1807, "index-0", false], [1813, "index-2", false], [1814, "index-2", false]], "setting keywords": [[1779, "index-2", false], [1779, "index-3", false], [1779, "index-4", false], [1779, "index-5", false], [1779, "index-6", false]], "sf_restrict (detci)": [[1685, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[149, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[87, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[88, "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.erisieve method)": [[70, "psi4.core.ERISieve.shell_significant", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[144, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[145, "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)": [[137, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[90, "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)": [[1721, "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)": [[1685, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1820, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1747, "index-0", false]], "singles_print (cceom)": [[1685, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[138, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1685, "term-SMALL_CUTOFF-PSIMRCC", true]], "sns-mp2": [[1787, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_angular_momentum", false]], "so_dipole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_dipole", false]], "so_dipole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_dipole", false]], "so_dkh() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_dkh", false]], "so_kinetic() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_kinetic", false]], "so_kinetic() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_kinetic", false]], "so_multipoles() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_multipoles", false]], "so_nabla() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_nabla", false]], "so_nabla() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_nabla", false]], "so_overlap() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_overlap", false]], "so_overlap() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_overlap", false]], "so_potential() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_potential", false]], "so_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_potential", false]], "so_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_quadrupole", false]], "so_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_traceless_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_traceless_quadrupole", false]], "sobasisset (class in psi4.core)": [[133, "psi4.core.SOBasisSet", false]], "sobasisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.sobasisset", false]], "sobasisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1685, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1685, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1685, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1685, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1685, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1685, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1685, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1685, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1685, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1685, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1685, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[330, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[134, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1757, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1757, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1757, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1757, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1757, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1757, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1757, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1757, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1685, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1685, "term-SOS_TYPE-OCC", true]], "soscf": [[1819, "index-3", false]], "soscf (scf)": [[1685, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1685, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1685, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1685, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1685, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1685, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[85, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.sotoao", false]], "specification": [[1814, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1736, "index-3", false]], "spin_scale_type (occ)": [[1685, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1685, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1685, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1685, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1685, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1685, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1757, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1757, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1757, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1757, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1757, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1685, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1685, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1685, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[85, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[146, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1685, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1685, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1685, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1685, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1685, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1685, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[87, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[379, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[269, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1685, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[136, "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)": [[1749, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1685, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[139, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[92, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1685, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1814, "index-2", false], [1814, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[140, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1685, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1685, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1685, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1685, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1685, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1685, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1685, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1685, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1685, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1685, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1685, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1685, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1685, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1822, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1749, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1749, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1757, "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)": [[1757, "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": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1757, "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": [[1757, "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)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1757, "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)": [[1757, "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)": [[1757, "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": [[1757, "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": [[1757, "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": [[1757, "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": [[1757, "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)": [[1757, "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)": [[1757, "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": [[1757, "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": [[1757, "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)": [[1757, "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)": [[1757, "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)": [[1757, "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": [[1757, "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)": [[1757, "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": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1757, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1757, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1757, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1757, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1822, "index-0", false]], "tddft": [[1822, "index-0", false]], "tdm (detci)": [[1685, "term-TDM-DETCI", true]], "tdscf": [[1822, "index-0", false], [1822, "index-1", false]], "tdscf() (in module psi4.driver)": [[399, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1685, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1685, "term-TDSCF_GUESS-SCF", true]], "tdscf_maxiter (scf)": [[1685, "term-TDSCF_MAXITER-SCF", true]], "tdscf_print (scf)": [[1685, "term-TDSCF_PRINT-SCF", true]], "tdscf_r_convergence (scf)": [[1685, "term-TDSCF_R_CONVERGENCE-SCF", true]], "tdscf_states (scf)": [[1685, "term-TDSCF_STATES-SCF", true]], "tdscf_tda (scf)": [[1685, "term-TDSCF_TDA-SCF", true]], "tdscf_tdm_print (scf)": [[1685, "term-TDSCF_TDM_PRINT-SCF", true]], "tdscf_triplets (scf)": [[1685, "term-TDSCF_TRIPLETS-SCF", true]], "tdscfconvergenceerror": [[278, "psi4.driver.TDSCFConvergenceError", false]], "test_b (optking)": [[1685, "term-TEST_B-OPTKING", true]], "test_derivative_b (optking)": [[1685, "term-TEST_DERIVATIVE_B-OPTKING", true]], "test_functional() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.test_functional", false]], "test_matrix_dpd_interface() (in module psi4.core)": [[257, "psi4.core.test_matrix_dpd_interface", false]], "testcomparisonerror": [[279, "psi4.driver.TestComparisonError", false]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1757, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", false]], "theory": [[0, "index-2", false], [285, "index-0", false], [1721, "index-1", false], [1722, "index-0", false], [1723, "index-0", false], [1734, "index-0", false], [1736, "index-1", false], [1737, "index-1", false], [1738, "index-0", false], [1744, "index-1", false], [1751, "index-0", false], [1770, "index-1", false], [1779, "index-1", false], [1780, "index-0", false], [1818, "index-0", false], [1819, "index-1", false], [1822, "index-1", false]], "thermal energy": [[1757, "psivar-THERMAL-ENERGY", false]], "thermal energy correction": [[1757, "psivar-THERMAL-ENERGY-CORRECTION", false]], "thermo() (in module psi4.driver.qcdb.vib)": [[391, "psi4.driver.qcdb.vib.thermo", false]], "theta_points (scf)": [[1685, "term-THETA_POINTS-SCF", true]], "thickness (scf)": [[1685, "term-THICKNESS-SCF", true]], "threading": [[1748, "index-6", false], [1748, "index-9", false]], "three_particle (dct)": [[1685, "term-THREE_PARTICLE-DCT", true]], "threecenteroverlapint (class in psi4.core)": [[142, "psi4.core.ThreeCenterOverlapInt", false]], "tikhonow_max (psimrcc)": [[1685, "term-TIKHONOW_MAX-PSIMRCC", true]], "tikhonow_omega (dct)": [[1685, "term-TIKHONOW_OMEGA-DCT", true]], "tikhonow_omega (psimrcc)": [[1685, "term-TIKHONOW_OMEGA-PSIMRCC", true]], "tikhonow_triples (psimrcc)": [[1685, "term-TIKHONOW_TRIPLES-PSIMRCC", true]], "tile_sz (scf)": [[1685, "term-TILE_SZ-SCF", true]], "timer_off() (in module psi4.core)": [[258, "psi4.core.timer_off", false]], "timer_on() (in module psi4.core)": [[259, "psi4.core.timer_on", false]], "tlaplacedenominator (class in psi4.core)": [[141, "psi4.core.TLaplaceDenominator", false]], "to_array() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.to_array", false]], "to_array() (psi4.core.vector method)": [[149, "psi4.core.Vector.to_array", false]], "to_arrays() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_arrays", false]], "to_dict() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_dict", false]], "to_file() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.to_file", false]], "to_schema() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_schema", false]], "to_serial() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.to_serial", false]], "to_serial() (psi4.core.vector method)": [[149, "psi4.core.Vector.to_serial", false]], "to_string() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_string", false]], "to_tuple() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.to_tuple", false]], "tocclean() (psi4.core.io method)": [[87, "psi4.core.IO.tocclean", false]], "tocentry_exists() (psi4.core.io method)": [[87, "psi4.core.IO.tocentry_exists", false]], "tocprint() (psi4.core.io method)": [[87, "psi4.core.IO.tocprint", false]], "tocscan() (psi4.core.io method)": [[87, "psi4.core.IO.tocscan", false]], "tocwrite() (psi4.core.io method)": [[87, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1685, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1685, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[143, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transform", false]], "transform() (psi4.core.symmetryoperation method)": [[140, "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)": [[91, "psi4.core.IntegralTransform.transform_tei", false]], "transform_tei_first_half() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.transform_tei_first_half", false]], "transform_tei_second_half() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.transform_tei_second_half", false]], "transition state": [[1783, "index-2", false]], "translate() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.translate", false]], "translate_psi4 (cfour)": [[1685, "term-TRANSLATE_PSI4-CFOUR", true]], "transpose() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transpose", false]], "transpose() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transpose", false]], "transpose() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.transpose", false]], "transpose_this() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transpose_this", false]], "tree_expansion_order (pe)": [[1685, "term-TREE_EXPANSION_ORDER-PE", true]], "tree_theta (pe)": [[1685, "term-TREE_THETA-PE", true]], "triples_algorithm (psimrcc)": [[1685, "term-TRIPLES_ALGORITHM-PSIMRCC", true]], "triples_diis (psimrcc)": [[1685, "term-TRIPLES_DIIS-PSIMRCC", true]], "triples_iabc_type (dfocc)": [[1685, "term-TRIPLES_IABC_TYPE-DFOCC", true]], "triples_low_memory (fnocc)": [[1685, "term-TRIPLES_LOW_MEMORY-FNOCC", true]], "triplet() (in module psi4.core)": [[260, "psi4.core.triplet", false]], "triplet() (psi4.core.matrix static method)": [[101, "psi4.core.Matrix.triplet", false]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.trove", false]], "true_atomic_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.true_atomic_number", false]], "tstart() (in module psi4.core)": [[261, "psi4.core.tstart", false]], "tstop() (in module psi4.core)": [[262, "psi4.core.tstop", false]], "turn_on_actv (mcscf)": [[1685, "term-TURN_ON_ACTV-MCSCF", true]], "two-electron energy": [[1757, "psivar-TWO-ELECTRON-ENERGY", false]], "twobodyaoint (class in psi4.core)": [[144, "psi4.core.TwoBodyAOInt", false]], "twoel_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.twoel_Hx", false]], "twoel_hx_full() (psi4.core.rhf method)": [[129, "psi4.core.RHF.twoel_Hx_full", false]], "twoelectronint (class in psi4.core)": [[145, "psi4.core.TwoElectronInt", false]], "u (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.U", false]], "uhf (class in psi4.core)": [[146, "psi4.core.UHF", false]], "uhf_noons (scf)": [[1685, "term-UHF_NOONS-SCF", true]], "uksfunctions (class in psi4.core)": [[147, "psi4.core.UKSFunctions", false]], "uncp-corrected 2-body interaction energy": [[1757, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "unify() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.unify", false]], "unify_part2() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.unify_part2", false]], "unit() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.unit", false]], "units": [[1814, "index-2", false]], "units() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.units", false]], "unnormalized (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.Unnormalized", false]], "up (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.up", false]], "update (detci)": [[1685, "term-UPDATE-DETCI", true]], "update() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.update", false]], "update_density() (psi4.core.twobodyaoint 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CORRELATION ENERGY"], [1757, 9, 1, "psivar-CEPA-3-DOUBLES-ENERGY", "CEPA(3) DOUBLES ENERGY"], [1757, 9, 1, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", "CEPA(3) OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", "CEPA(3) SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CEPA-3-SINGLES-ENERGY", "CEPA(3) SINGLES ENERGY"], [1757, 9, 1, "psivar-CEPA-3-TOTAL-ENERGY", "CEPA(3) TOTAL ENERGY"], [1757, 9, 1, "psivar-CFOUR-ERROR-CODE", "CFOUR ERROR CODE"], [1757, 9, 1, "psivar-CI-CORRELATION-ENERGY", "CI CORRELATION ENERGY"], [1757, 9, 1, "psivar-CI-DIPOLE", "CI DIPOLE"], [1757, 9, 1, "psivar-CI-QUADRUPOLE", "CI QUADRUPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", "CI ROOT n -&gt; ROOT m DIPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-ROOT-m-QUADRUPOLE", "CI ROOT n -&gt; ROOT m QUADRUPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-CORRELATION-ENERGY", "CI ROOT n CORRELATION ENERGY"], [1757, 9, 1, "psivar-CI-ROOT-n-DIPOLE", "CI ROOT n DIPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-QUADRUPOLE", "CI ROOT n QUADRUPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-TOTAL-ENERGY", "CI ROOT n TOTAL ENERGY"], [1757, 9, 1, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY", "CI STATE-AVERAGED CORRELATION ENERGY"], [1757, 9, 1, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY", "CI STATE-AVERAGED TOTAL ENERGY"], [1757, 9, 1, "psivar-CI-TOTAL-ENERGY", "CI TOTAL ENERGY"], [1757, 9, 1, "psivar-CISD-CORRELATION-ENERGY", "CISD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-DIPOLE", "CISD DIPOLE"], [1757, 9, 1, "psivar-CISD-DOUBLES-ENERGY", "CISD DOUBLES ENERGY"], [1757, 9, 1, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "CISD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-QUADRUPOLE", "CISD QUADRUPOLE"], [1757, 9, 1, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", "CISD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-SINGLES-ENERGY", "CISD SINGLES ENERGY"], [1757, 9, 1, "psivar-CISD-TOTAL-ENERGY", "CISD TOTAL ENERGY"], [1757, 9, 1, "psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1757, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1757, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1757, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1748, 10, 1, "-", "CONDA_PREFIX"], [1757, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1719, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1719, 10, 1, "-", "CRAY_ADD_RPATH"], [1757, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1757, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1757, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1757, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1757, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1757, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1757, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", "CUSTOM SCS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", "CUSTOM SCS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", "CUSTOM SCS-OREMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1757, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1757, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1757, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1757, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1757, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1757, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1757, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1757, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1757, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1757, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1757, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1757, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1757, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1757, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1757, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1757, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1757, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1757, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1757, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1757, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1757, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1757, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1757, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1757, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1757, 9, 1, "-", "ENTHALPY"], [1757, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1757, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1757, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1757, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1757, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1757, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1757, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1757, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1757, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1757, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1757, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1757, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1757, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1757, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1757, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1757, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1757, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1748, 10, 1, "-", "HOST"], [1757, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1757, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1757, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1757, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1757, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1719, 10, 1, "-", "MATH_ROOT"], [1757, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1757, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1757, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1757, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1757, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1757, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1757, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1757, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1757, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1757, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1748, 10, 1, "-", "MKL_NUM_THREADS"], [1719, 10, 1, "-", "MKL_ROOT"], [1731, 10, 1, "-", "MONTAGE"], [1757, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1757, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1757, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1757, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1757, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1757, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1757, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1757, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1757, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1757, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1757, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1757, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1757, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1757, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1757, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1757, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1757, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1757, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1748, 10, 1, "-", "OMP_NESTED"], [1748, 10, 1, "-", "OMP_NUM_THREADS"], [1757, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1757, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1757, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1748, 10, 1, "-", "PATH"], [1757, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1757, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1748, 10, 1, "-", "PSIDATADIR"], [1748, 10, 1, "-", "PSIPATH"], [1748, 10, 1, "-", "PSI_SCRATCH"], [1748, 10, 1, "-", "PYTHONPATH"], [1757, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1757, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1757, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1757, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1757, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1757, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1757, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1757, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1757, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1757, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1757, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1757, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1757, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1757, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1757, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1757, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1757, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1757, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1757, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1757, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1757, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1757, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1757, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1757, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1757, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1757, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1757, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1757, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1757, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1757, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1757, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1757, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1757, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1757, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1757, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1757, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1757, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1757, 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)"], [1757, 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)"], [1757, 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"], [1757, 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"], [1757, 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"], [1757, 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"], [1757, 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)"], [1757, 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)"], [1757, 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"], [1757, 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"], [1757, 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)"], [1757, 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)"], [1757, 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)"], [1757, 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)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1757, 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"], [1757, 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"], [1757, 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"], [1757, 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)"], [1757, 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)"], [1757, 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"], [1757, 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"], [1757, 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)"], [1757, 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)"], [1757, 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)"], [1757, 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"], [1757, 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)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", "TD-fctl ROOT n (IN h) TOTAL ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", "TD-fctl ROOT n (h) TOTAL ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", "TD-fctl ROOT n TOTAL ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", "TD-fctl ROOT n TOTAL ENERGY - h TRANSITION"], [1757, 9, 1, "psivar-THERMAL-ENERGY", "THERMAL ENERGY"], [1757, 9, 1, "psivar-THERMAL-ENERGY-CORRECTION", "THERMAL ENERGY CORRECTION"], [1757, 9, 1, "psivar-TWO-ELECTRON-ENERGY", "TWO-ELECTRON ENERGY"], [1757, 9, 1, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", "UNCP-CORRECTED 2-BODY INTERACTION ENERGY"], [1731, 10, 1, "-", "VMDPATH"], [1757, 9, 1, "psivar-WIBERG-LOWDIN-INDICES", "WIBERG LOWDIN INDICES"], [1757, 9, 1, "psivar-ZAPTn-CORRELATION-ENERGY", "ZAPTn CORRELATION ENERGY"], [1757, 9, 1, "psivar-ZAPTn-TOTAL-ENERGY", "ZAPTn TOTAL ENERGY"], [1757, 9, 1, "psivar-ZERO-K-ENTHALPY", "ZERO K ENTHALPY"], [1757, 9, 1, "-", "ZPVE"], [1757, 9, 1, "psivar-T-CORRECTION-ENERGY", "[T] CORRECTION ENERGY"], [1757, 9, 1, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", "db_name DATABASE MEAN ABSOLUTE DEVIATION"], [1757, 9, 1, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", "db_name DATABASE MEAN SIGNED DEVIATION"], [1757, 9, 1, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", "db_name DATABASE ROOT-MEAN-SQUARE DEVIATION"], [1757, 9, 1, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", "fctl DISPERSION CORRECTION ENERGY"], [1757, 9, 1, "psivar-mtd-128-POLE", "mtd 128-POLE"], [1757, 9, 1, "psivar-mtd-32-POLE", "mtd 32-POLE"], [1757, 9, 1, "psivar-mtd-64-POLE", "mtd 64-POLE"], [1757, 9, 1, "psivar-mtd-DIPOLE", "mtd DIPOLE"], [1757, 9, 1, "psivar-mtd-HEXADECAPOLE", "mtd HEXADECAPOLE"], [1757, 9, 1, "psivar-mtd-OCTUPOLE", "mtd OCTUPOLE"], [1757, 9, 1, "psivar-mtd-QUADRUPOLE", "mtd QUADRUPOLE"]], "CUSTOM SCS-MP2": [[1757, 9, 1, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "CUSTOM SCS-OMP2": [[1757, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "MP2": [[1757, 9, 1, "psivar-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2.5-SINGLES-ENERGY", "5 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "NBODY (i, j, ..., k)@(a, b, ..": [[1757, 9, 1, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", ", c) TOTAL ENERGY"]], "OMP2": [[1757, 9, 1, "psivar-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", "5 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "SAPT EST": [[1757, 9, 1, "psivar-SAPT-EST.DISP22-T-ENERGY", "DISP22(T) ENERGY"], [1757, 9, 1, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", "DISP22(T)(CCD) ENERGY"]], "The total electronic gradient [E_h/a0] of the MP2 level of theory, ({nat}, 3)": [[1757, 9, 1, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", ""]], "psi4": [[2, 0, 1, "", "compare"], [2, 0, 1, "", "compare_cubes"], [2, 0, 1, "", "compare_fchkfiles"], [2, 0, 1, "", "compare_fcidumps"], [2, 0, 1, "", 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by M. 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", "ERISieve", "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\">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_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\">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\">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", "A24alt", "&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": {"": [885, 1211, 1716, 1719, 1727, 1740, 1755, 1766, 1818], "0": 1802, "1": [1714, 1751, 1819], "2": 1769, "2nd": 1737, "3": 1769, "3rc1": 1769, "4": [1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1719, 1720, 1723, 1724, 1727, 1729, 1739, 1745, 1758, 1759, 1761, 1762, 1778, 1780, 1783, 1785, 1791, 1795, 1796, 1797, 1798, 1799, 1800, 1805, 1806, 1808, 1811, 1814, 1819, 1825], "8": 1769, "82": [1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1720, 1723, 1724, 1727, 1729, 1739, 1745, 1758, 1759, 1761, 1762, 1778, 1780, 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"cc_os_scal": [437, 1200], "cc_ras34_max": [797, 1211], "cc_ras3_max": [798, 1211], "cc_ras4_max": [799, 1211], "cc_scale_o": [1068, 1220, 1752], "cc_scale_ss": [1069, 1220, 1752], "cc_ss_scale": [438, 1200], "cc_time": [1070, 1220, 1752], "cc_type": [1107, 1222, 1720, 1723, 1737, 1738, 1752, 1762, 1779], "cc_update_ep": [800, 1211], "cc_val_ex_level": [801, 1211], "cc_variat": [802, 1211], "cc_vecs_read": [803, 1211], "cc_vecs_writ": [804, 1211], "ccd_e_converg": [1231, 1436], "ccd_maxit": [1231, 1437], "ccd_t_converg": [1231, 1438], "ccdensiti": [161, 1199], "ccenergi": [162, 1200, 1650, 1723], "cceom": [163, 1201], "cchbar": [164, 1202], "ccl_energi": [1226, 1245], "cclambda": [165, 1203], "cclr": 1723, "ccrespons": [166, 1204], "ccsd": 1752, "cctransort": [167, 1205], "cctripl": [168, 1206], "ccwavefunct": 11, "cdsalc": 15, "cdsalclist": 16, "center": 1818, "cepa": 1752, "cepa_level": [1071, 1220, 1752], "cepa_no_singl": [1072, 1220, 1752], "cepa_os_scal": [1226, 1246], 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1748, 1756, 1772, 1776, 1777, 1782, 1817], "option_exists_in_modul": 220, "options_to_python": 221, "optionsst": 328, "optionsstatecm": 329, "optionst": 327, "optk": [1227, 1783], "orb_opt": [946, 1214, 1226, 1281, 1779], "orb_resp_solv": [947, 1214, 1226, 1282], "orbit": [1714, 1731, 1736, 1744, 1751, 1752, 1762, 1770, 1779, 1791, 1810, 1818], "orbital_level_shift": [745, 1209], "orbitals_writ": [1232, 1582], "orbitalspac": 116, "order": [1211, 1736, 1737, 1751, 1810, 1814, 1818, 1819], "org": 1769, "organ": 1811, "origin": 1780, "orth_typ": [948, 1214, 1226, 1283, 1779], "orthogon": 1819, "os_scal": [1226, 1284], "other": [1714, 1751], "outfile_nam": 222, "output": [2, 1721, 1724, 1733, 1767, 1783, 1824], "overal": 1762, "overlap": 1720, "overlap_check": [489, 1201], "overlapint": 117, "overrid": 1802, "overview": [1762, 1796, 1798], "p": [1233, 1646, 1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1720, 1723, 1724, 1727, 1729, 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1818], "perturb_cb": [1230, 1419], "perturb_cbs_coupl": [1230, 1420], "perturb_dipol": [1232, 1584], "perturb_h": [1232, 1585], "perturb_magnitud": [874, 1211, 1232, 1586], "perturb_with": [1232, 1587], "petersson": 1714, "petitelist": 119, "phi_point": [1232, 1588], "photon": 1822, "physic": [1687, 1813], "pk_all_nonsym": [1232, 1589], "pk_max_bucket": [1232, 1590], "plain": 2, "plan": [1719, 1811], "plesset": [1737, 1779], "plot": 1822, "plugin": [223, 1727, 1788, 1789, 1805], "plugin_clos": 224, "plugin_close_al": 225, "plugin_load": 226, "plump_qcvar": 368, "pmlocal": 118, "pno_converg": [976, 1215], "point": [1029, 1218, 1747, 1751], "pointfunct": 120, "pointgroup": 121, "polar": 0, "polariz": [1730, 1784], "popl": 1714, "post": [1741, 1762, 1769, 1819], "postreleas": 1769, "potenti": [1711, 1798, 1809, 1819, 1825], "potentialint": 122, "potfil": [1229, 1391, 1730], "ppl_type": [952, 1214], "practic": 1811, "pre": [1769, 1789], "precondition": [875, 1211], "prefactor_ecd": 369, 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\ No newline at end of file
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[1485, null]], "COSX_DENSITY_TOLERANCE": [[1232, "cosx-density-tolerance"], [1486, null]], "COSX_INTS_TOLERANCE": [[1232, "cosx-ints-tolerance"], [1487, null]], "COSX_MAXITER_FINAL": [[1232, "cosx-maxiter-final"], [1488, null]], "COSX_OVERLAP_FITTING": [[1232, "cosx-overlap-fitting"], [1489, null]], "COSX_PRUNING_SCHEME": [[1232, "cosx-pruning-scheme"], [1490, null]], "COSX_RADIAL_POINTS_FINAL": [[1232, "cosx-radial-points-final"], [1491, null]], "COSX_RADIAL_POINTS_INITIAL": [[1232, "cosx-radial-points-initial"], [1492, null]], "COSX_SPHERICAL_POINTS_FINAL": [[1232, "cosx-spherical-points-final"], [1493, null]], "COSX_SPHERICAL_POINTS_INITIAL": [[1232, "cosx-spherical-points-initial"], [1494, null]], "COUPLED_INDUCTION": [[1231, "coupled-induction"], [1439, null], [1818, "coupled-induction"], [1818, "id13"]], "COUPLING": [[1230, "coupling"], [1401, null]], "COUPLING_TERMS": [[1230, "coupling-terms"], [1402, null]], "COVALENT_CONNECT": [[1227, "covalent-connect"], [1304, null]], "CPHF": [[1208, null]], "CPHF_MEM_SAFETY_FACTOR": [[715, null], [1208, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1030, null], [1219, "cphf-r-convergence"], [1231, "cphf-r-convergence"], [1440, null], [1818, "cphf-r-convergence"]], "CPHF_TASKS": [[716, null], [1208, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1109, null], [1222, "cubeprop-basis-functions"], [1731, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1110, null], [1222, "cubeprop-filepath"], [1731, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1111, null], [1222, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1112, null], [1222, "cubeprop-orbitals"], [1731, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1113, null], [1222, "cubeprop-tasks"], [1731, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1031, null], [1114, null], [1219, "cubic-basis-tolerance"], [1222, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": 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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.": [[1720, "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": [[1724, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1798, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1818, "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>": [[1762, "citing-psifour"]], "Class Inheritance Diagram": [[1808, "class-inheritance-diagram"], [1808, "id3"], [1808, "id6"]], "Classes": [[1808, "classes"], [1808, "id2"], [1808, "id5"]], "Clone from GitHub Repository": [[1718, "clone-from-github-repository"]], "Code style conventions": [[1728, null]], "Collect documentation snapshot": [[1769, "collect-documentation-snapshot"]], "Collect new authors": [[1769, "collect-new-authors"]], "Command Line Options": [[1748, "command-line-options"]], "Comments": [[1785, "comments"]], "Community Code of Conduct": [[1792, null]], "Comparison Functions": [[2, "comparison-functions"]], "Compiling and Installing from Source": [[1719, null]], "Complete Basis Set": [[1721, null]], "Completely new methods": [[1804, "completely-new-methods"]], "CompositeJK": [[18, null]], "Computations with Mid-bonds": [[1818, "computations-with-mid-bonds"]], "Conda Binary Distribution": [[1729, null]], "Conda Binary Package": [[1718, "conda-binary-package"]], "Configuration Interaction (CI)": [[1762, "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": [[1717, "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": [[1717, "configuring-building-and-installing-psifour-via-source"]], "Constrained Optimizations": [[1783, "constrained-optimizations"]], "Contents:": [[1758, null]], "Conventional (Non-OO) Coupled-Cluster and M\u00f8ller\u2013Plesset Perturbation Theories": [[1779, "conventional-non-oo-coupled-cluster-and-mollerplesset-perturbation-theories"]], "Convergence Control": [[1227, "convergence-control"]], "Convergence Control/Stabilization": [[1232, "convergence-control-stabilization"]], "Convergence Criteria": [[1783, "convergence-criteria"]], "Convergence Problems": [[1779, "convergence-problems"]], "Convergence Stabilization": [[1819, "convergence-stabilization"]], "Convergence and Algorithm Defaults": [[1819, "convergence-and-algorithm-defaults"]], "ConvergenceError": [[267, null]], "Coordinates": [[1814, "coordinates"]], "CorrelationFactor": [[19, null]], "CorrelationTable": [[20, null]], "Coupled Cluster (CC)": [[1762, "coupled-cluster-cc"]], "Coupled electron pair approximation": [[1752, "coupled-electron-pair-approximation"]], "Creating New Plugins": [[1789, null]], "Creating a Database": [[1816, null]], "Creating a New Plugin": [[1789, "creating-a-new-plugin"]], "Creating a New Plugin Using a Conda Pre-compiled Binary": [[1789, "creating-a-new-plugin-using-a-conda-pre-compiled-binary"]], "Cube File Visualization with PyMol": [[1751, "cube-file-visualization-with-pymol"]], "CubeProperties": [[21, null]], "Cubeprop Tasks": [[1731, "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>": [[1723, "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>": [[1780, "id2"]], "Customization: Adding Simple Extensions": [[1732, null]], "DAMPING_CONVERGENCE": [[1232, "damping-convergence"], [1496, null]], "DAMPING_FACTOR_INDUCED": [[1229, "damping-factor-induced"], [1385, null]], "DAMPING_FACTOR_MULTIPOLE": [[1229, "damping-factor-multipole"], [1386, null]], "DAMPING_PERCENTAGE": [[730, null], [1209, "damping-percentage"], [1230, "damping-percentage"], [1232, "damping-percentage"], [1403, null], [1497, null]], "DAMP_INDUCED": [[1229, "damp-induced"], [1383, null]], "DAMP_MULTIPOLE": [[1229, "damp-multipole"], [1384, null]], "DASUM": [[22, null]], "DAXPY": [[23, null]], "DCOPY": [[24, null]], "DCT": [[1209, null], [1652, null]], "DCT: Density Cumulant Theory": [[1734, null]], "DCT_FUNCTIONAL": [[731, null], [1209, "dct-functional"]], "DCT_GUESS": [[732, null], [1209, "dct-guess"]], "DCT_TYPE": [[733, null], [1209, "dct-type"]], "DDOT": [[25, null]], "DDX": [[1118, null], [1210, null], 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[[1719, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1719, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1719, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1719, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1719, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1728, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1728, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1729, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1729, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1729, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1719, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1766, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1767, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1766, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1791, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1791, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1791, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1719, "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}": [[1718, "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": [[1719, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1719, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1719, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1719, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1719, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1719, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1719, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1719, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1728, "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": [[1719, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1719, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1719, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1719, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1719, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1719, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1719, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1719, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1729, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1719, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1719, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1719, "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": [[1766, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1729, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1719, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1719, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1719, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1791, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1739, "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>": [[1681, null], [1739, "id5"]], "I-SAPT: A Representative Example": [[1751, "i-sapt-a-representative-example"]], "I. Basic Input Structure": [[1809, "I.-Basic-Input-Structure"]], "ICORE": [[838, null], [1211, "icore"], [1736, "icore"]], "IDAMAX": [[86, null]], "II. Running a Basic Hartree-Fock Calculation": [[1809, "II.-Running-a-Basic-Hartree-Fock-Calculation"]], "III. Geometry Optimization and Vibrational Frequency Analysis": [[1809, "III.-Geometry-Optimization-and-Vibrational-Frequency-Analysis"]], "INCFOCK": [[1232, "incfock"], [1564, null]], "INCFOCK_CONVERGENCE": [[1232, "incfock-convergence"], [1565, null]], "INCFOCK_FULL_FOCK_EVERY": [[1232, "incfock-full-fock-every"], [1566, null]], "INDUCED_CONVERGENCE": [[1229, "induced-convergence"], [1387, null], [1730, "induced-convergence"]], "INTCOS_GENERATE_EXIT": [[1227, "intcos-generate-exit"], [1333, null]], "INTEGRAL_CUTOFF": [[928, null], [1214, "integral-cutoff"]], "INTEGRAL_PACKAGE": [[1130, null], [1222, "integral-package"]], "INTERFRAGMENT_CONNECT": [[1227, "interfragment-connect"], [1340, null]], "INTERFRAG_COLLINEAR_TOL": [[1227, "interfrag-collinear-tol"], [1334, null]], "INTERFRAG_COORDS": [[1227, "interfrag-coords"], [1335, null]], "INTERFRAG_DIST_INV": [[1227, "interfrag-dist-inv"], [1336, null]], "INTERFRAG_HESS": [[1227, "interfrag-hess"], [1337, null]], "INTERFRAG_MODE": [[1227, "interfrag-mode"], [1338, null]], "INTERFRAG_STEP_LIMIT": [[1227, "interfrag-step-limit"], [1339, null]], "INTERNAL_ROTATIONS": [[1184, null], [1223, "internal-rotations"]], "INTRAFRAG_HESS": [[1227, "intrafrag-hess"], [1341, null]], "INTRAFRAG_STEP_LIMIT": [[1227, "intrafrag-step-limit"], [1342, null]], "INTRAFRAG_STEP_LIMIT_MAX": [[1227, "intrafrag-step-limit-max"], [1343, null]], "INTRAFRAG_STEP_LIMIT_MIN": [[1227, "intrafrag-step-limit-min"], [1344, null]], "INTS_TOLERANCE": [[416, null], [741, null], [906, null], [1054, null], [1199, "ints-tolerance"], [1209, "ints-tolerance"], [1213, "ints-tolerance"], [1219, "ints-tolerance"], [1225, "ints-tolerance"], [1231, "ints-tolerance"], [1232, "ints-tolerance"], [1235, null], [1453, null], [1567, null], [1818, "ints-tolerance"], [1818, "id26"]], "IO": [[87, null]], "IOManager": [[88, null]], "IP Fitting": [[1738, "ip-fitting"]], "IP_POLES": [[1226, "ip-poles"], [1265, null]], "IRC_DIRECTION": [[1227, "irc-direction"], [1345, null]], "IRC_POINTS": [[1227, "irc-points"], [1346, null]], "IRC_STEP_SIZE": [[1227, "irc-step-size"], [1347, null]], "ISOTROPIC_POL": [[1229, "isotropic-pol"], [1388, null], [1730, "isotropic-pol"]], "ISTOP": [[839, null], [1211, "istop"]], "IV. Analysis of Intermolecular Interactions": [[1809, "IV.-Analysis-of-Intermolecular-Interactions"]], "Important BLAS Routines": [[1791, "important-blas-routines"]], "Important Lapack Routines": [[1791, "important-lapack-routines"]], "Important User Changes from cpp-optking": [[1783, "important-user-changes-from-cpp-optking"]], "InPsight": [[324, null]], "Incorporating code into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1805, "incorporating-code-into-psifour"]], "Initial Guess": [[1819, "initial-guess"]], "Initialize release branch": [[1769, "initialize-release-branch"]], "Input": [[1743, "input"], [1756, "input"]], "Inputting effective core potentials (ECPs)": [[1711, "inputting-effective-core-potentials-ecps"]], "Installation": [[1, "installation"], [1724, "installation"], [1727, "installation"], [1730, "installation"], [1735, "installation"], [1740, "installation"], [1743, "installation"], [1746, "installation"], [1754, "installation"], [1755, "installation"], [1756, "installation"], [1763, "installation"], [1764, "installation"], [1765, "installation"], [1773, "installation"], [1784, "installation"], [1786, "installation"], [1787, "installation"], [1788, "installation"], [1820, "installation"]], "Installation and Runtime Configuration": [[1748, null]], "Installing BrianQC": [[1716, "installing-brianqc"]], "Installing Sphinx": [[1745, "installing-sphinx"]], "Instantiating integral objects": [[1798, "instantiating-integral-objects"]], "IntVector": [[89, null]], "Integral consuming technologies": [[1804, "integral-consuming-technologies"]], "Integral-Direct Density-Fitted Coulomb Construction": [[1819, "integral-direct-density-fitted-coulomb-construction"]], "IntegralFactory": [[90, null]], "IntegralTransform": [[91, null]], "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1798, 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>": [[1796, null]], "Interface Details": [[1773, "interface-details"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1724, null]], "Interface to CPPE by M. Scheurer": [[1730, null]], "Interface to CheMPS2 by S. Wouters": [[1727, null]], "Interface to DFTD3 by S. Grimme": [[1740, null]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1743, null]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1756, null]], "Interface to GeomeTRIC": [[1783, "interface-to-geometric"]], "Interface to LIBEFP by I. Kaliman": [[1763, null]], "Interface to LibECPInt by R. Shaw": [[1746, null]], "Interface to Libint by E. Valeev": [[1764, null]], "Interface to Libxc by M. A. L. Marques": [[1765, null]], "Interface to MRCC by M. K\u00e1llay": [[1773, null]], "Interface to Molden \u2014 molden()": [[1772, null]], "Interface to NumPy": [[1778, null]], "Interface to PCMSolver by R. Di Remigio": [[1784, null]], "Interface to SIMINT by B. Pritchard": [[1820, 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": [[1735, null]], "Interface to gCP by S. Grimme": [[1755, null]], "Interface to gau2grid by D. G. A. Smith": [[1754, null]], "Interface to programs through FCHK files \u2014 fchk()": [[1750, null]], "Interface to the BrianQC GPU module by the BrianQC team": [[1716, null]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1761, null]], "Interfacing with <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1795, "interfacing-with-psifour"]], "Interpreting SAPT Results": [[1818, "interpreting-sapt-results"]], "Introduction": [[1731, "introduction"], [1737, "introduction"], [1744, "introduction"], [1762, null], [1779, "introduction"], [1798, "introduction"], [1819, "introduction"], [1822, "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>": [[1799, null]], "IrreducibleRepresentation": [[92, null]], "Isotopic Substitution": [[1814, "isotopic-substitution"]], "Iterative Algorithms": [[1734, "iterative-algorithms"]], "Iterative solver parameters": [[1735, "iterative-solver-parameters"]], "JK": [[93, null]], "JOBTYPE": [[517, null], [1203, "jobtype"]], "JSCH": [[1673, "jsch"], [1733, "jsch"]], "JSON": [[1702, null]], "Job Control Keywords": [[1813, "job-control-keywords"]], "KIND": [[1, "kind"], [404, null], [1198, "kind"]], "Keywords": [[401, "keywords"], [1716, "keywords"], [1731, "keywords"], [1743, "keywords"], [1817, "keywords"], [1824, "keywords"]], "Keywords by Alpha": [[1685, null]], "Keywords by Module": [[1686, null]], "Keywords for CPPE": [[1730, "keywords-for-cppe"]], "Keywords for PCMSolver": [[1784, "keywords-for-pcmsolver"]], "Keywords for adcc": [[1, "keywords-for-adcc"]], "KineticInt": [[94, null]], "Known limitations": [[1822, "known-limitations"]], "LAPACK Wrappers": [[1791, "lapack-wrappers"]], "LEVEL_SHIFT": [[929, null], [1185, null], [1214, 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"LS_THC_WEIGHTS_TOLERANCE": [[1138, null], [1222, "ls-thc-weights-tolerance"]], "LaplaceDenominator": [[96, null]], "Larger Calculations": [[1723, "larger-calculations"]], "Levels of truncation for diffuse functions in standard basis sets": [[1714, "id16"]], "LibOptions: globals, locals, has_changed and all that": [[1782, null]], "LibXCFunctional": [[97, null]], "License": [[1762, "license"]], "Linear Algebra in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1791, null]], "Linear Exchange": [[1819, "linear-exchange"]], "Linear Response (CCLR) Calculations": [[1723, "linear-response-cclr-calculations"]], "Lineshape": [[325, null]], "Link Orbital Partitioning in I-SAPT": [[1751, "link-orbital-partitioning-in-i-sapt"]], "Localizer": [[98, null]], "Long-Range Corrected": [[1739, "long-range-corrected"]], "Long-Range-Corrected functionals available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1682, null], [1739, "id4"]], "Loops": [[1813, "loops"]], "Lorentzian": [[326, null]], "MADMP2_SLEEP": [[907, null], [1213, "madmp2-sleep"]], "MAT_NUM_COLUMN_PRINT": [[1139, null], [1222, "mat-num-column-print"]], "MAXITER": [[1, "maxiter"], [406, null], [448, null], [486, null], [525, null], [549, null], [742, null], [1063, null], [1081, null], [1186, null], [1198, "maxiter"], [1200, "maxiter"], [1201, "maxiter"], [1203, "maxiter"], [1204, "maxiter"], [1209, "maxiter"], [1219, "maxiter"], [1220, "maxiter"], [1223, "maxiter"], [1229, "maxiter"], [1230, "maxiter"], [1231, "maxiter"], [1232, "maxiter"], [1389, null], [1414, null], [1455, null], [1575, null], [1723, "maxiter"], [1730, "maxiter"], [1752, "maxiter"], [1818, "maxiter"]], "MAX_ATTEMPTS": [[1232, "max-attempts"], [1573, null]], "MAX_CCD_DIISVECS": [[1231, "max-ccd-diisvecs"], [1454, null]], "MAX_DISP_G_CONVERGENCE": [[1227, "max-disp-g-convergence"], [1348, null]], 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"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__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_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__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__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", "autodir_options_c/scf__tdscf_maxiter", "autodir_options_c/scf__tdscf_print", "autodir_options_c/scf__tdscf_r_convergence", "autodir_options_c/scf__tdscf_states", "autodir_options_c/scf__tdscf_tda", "autodir_options_c/scf__tdscf_tdm_print", "autodir_options_c/scf__tdscf_triplets", "autodir_options_c/scf__theta_points", "autodir_options_c/scf__thickness", "autodir_options_c/scf__tile_sz", "autodir_options_c/scf__uhf_noons", "autodir_options_c/scf__wcombine", "autodir_options_c/scf__wfn", "autodir_options_c/thermo__p", "autodir_options_c/thermo__rotational_symmetry_number", "autodir_options_c/thermo__t", "autodir_psivariables/module__adc", "autodir_psivariables/module__ccenergy", "autodir_psivariables/module__cfour", "autodir_psivariables/module__dct", "autodir_psivariables/module__ddx", "autodir_psivariables/module__detci", "autodir_psivariables/module__dfmp2", "autodir_psivariables/module__dfocc", "autodir_psivariables/module__dlpno", "autodir_psivariables/module__dmrg", "autodir_psivariables/module__efp", "autodir_psivariables/module__fisapt", 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false]], "architectures": [[1762, "index-0", false]], "array_interface() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.array_interface", false]], "array_interface() (psi4.core.vector method)": [[149, "psi4.core.Vector.array_interface", false]], "array_to_matrix() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.array_to_matrix", false]], "array_to_matrix() (in module psi4.driver.p4util.numpy_helper)": [[1778, "psi4.driver.p4util.numpy_helper.array_to_matrix", false]], "array_variable() (in module psi4.core)": [[152, "psi4.core.array_variable", false]], "array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.array_variable", false]], "array_variables() (in module psi4.core)": [[153, "psi4.core.array_variables", false]], "array_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.array_variables", false]], "arrays() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.arrays", false]], "ascending 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"auxiliary_bond_factor (optking)": [[1685, "term-AUXILIARY_BOND_FACTOR-OPTKING", true]], "available": [[1733, "index-4", false]], "available by element": [[1712, "index-0", false]], "available by family": [[1711, "index-0", false], [1714, "index-0", false]], "available functionals": [[1739, "index-0", false]], "avg_states (detci)": [[1685, "term-AVG_STATES-DETCI", true]], "avg_weights (detci)": [[1685, "term-AVG_WEIGHTS-DETCI", true]], "axpby() (psi4.core.vector method)": [[149, "psi4.core.Vector.axpby", false]], "axpy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.axpy", false]], "axpy() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.axpy", false]], "axpy() (psi4.core.vector method)": [[149, "psi4.core.Vector.axpy", false]], "axpy_matrix() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.axpy_matrix", false]], "axpy_matrix() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.axpy_matrix", false]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1685, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[283, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1736, "index-2", false], [1752, "index-2", false]], "basis (dfmp2)": [[1685, "term-BASIS-DFMP2", true]], "basis (mints)": [[1685, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1685, "term-BASIS-SAPT", true]], "basis (scf)": [[1685, "term-BASIS-SCF", true]], "basis set": [[1711, "index-0", false], [1711, "index-1", false], [1711, "index-2", false], [1711, "index-3", false], [1712, "index-0", false], [1713, "index-0", false], [1714, "index-0", false], [1721, "index-0", false], [1721, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[148, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[114, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1685, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[284, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[334, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1685, "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)": [[93, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1757, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1685, "term-BCCD_MAXITER-CCENERGY", true]], "be_quiet() (in module psi4.core)": [[154, "psi4.core.be_quiet", false]], "begin() (psi4.core.slice method)": [[138, "psi4.core.Slice.begin", false]], "bench (globals)": [[1685, "term-BENCH-GLOBALS", true]], "benchmark_blas1() (in module psi4.core)": [[155, "psi4.core.benchmark_blas1", false]], "benchmark_blas2() (in module psi4.core)": [[156, "psi4.core.benchmark_blas2", false]], "benchmark_blas3() (in module psi4.core)": [[157, "psi4.core.benchmark_blas3", false]], "benchmark_disk() (in module psi4.core)": [[158, "psi4.core.benchmark_disk", false]], "benchmark_integrals() (in module psi4.core)": [[159, "psi4.core.benchmark_integrals", false]], "benchmark_math() (in module psi4.core)": [[160, "psi4.core.benchmark_math", false]], "bendazzoli (detci)": [[1685, "term-BENDAZZOLI-DETCI", true]], "beta_corr_to_pitzer() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.beta_corr_to_pitzer", false]], "beta_orbital_space() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.beta_orbital_space", false]], "bfs() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.BFS", false]], "bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.bibtex", false]], "bindex() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.bIndex", false]], "bits() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.bits", false]], "blank() (psi4.core.superfunctional static method)": [[139, "psi4.core.SuperFunctional.blank", false]], "blend() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.blend", false]], "block_diagonal_array() (in module psi4.driver.p4util)": [[335, "psi4.driver.p4util.block_diagonal_array", false]], "blockopoints (class in psi4.core)": [[9, "psi4.core.BlockOPoints", false]], "blocks() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.blocks", false]], "bohr (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.Bohr", false]], "bohr_per_ang (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.bohr_per_ang", false]], "bond_width (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.bond_width", false]], "bonding_alpha (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.bonding_alpha", false]], "bonds (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.bonds", false]], "borbs() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.bOrbs", false]], "border (pe)": [[1685, "term-BORDER-PE", true]], "border_n_redist (pe)": [[1685, "term-BORDER_N_REDIST-PE", true]], "border_redist_order (pe)": [[1685, "term-BORDER_REDIST_ORDER-PE", true]], "border_redist_pol (pe)": [[1685, "term-BORDER_REDIST_POL-PE", true]], "border_rmin (pe)": [[1685, "term-BORDER_RMIN-PE", true]], "border_rmin_unit (pe)": [[1685, "term-BORDER_RMIN_UNIT-PE", true]], "border_type (pe)": [[1685, "term-BORDER_TYPE-PE", true]], "boyslocalizer (class in psi4.core)": [[10, "psi4.core.BoysLocalizer", false]], "brianqc": [[1716, "index-0", false]], "brianqc_enable": [[1716, "envvar-BRIANQC_ENABLE", false], [1716, "index-4", false]], "brianqc_enable (globals)": [[1685, "term-BRIANQC_ENABLE-GLOBALS", true]], "brianqc_install_path": [[1716, "envvar-BRIANQC_INSTALL_PATH", false], [1716, "index-2", false], [1716, "index-3", false]], "brianqc_sdk_install": [[1716, "envvar-BRIANQC_SDK_INSTALL", false], [1716, "index-1", false]], "brueckner converged": [[1757, "psivar-BRUECKNER-CONVERGED", false]], "brueckner_maxiter (fnocc)": [[1685, "term-BRUECKNER_MAXITER-FNOCC", true]], "brueckner_orbs_r_convergence (ccenergy)": [[1685, "term-BRUECKNER_ORBS_R_CONVERGENCE-CCENERGY", true]], "bsse": [[1775, "index-0", false]], "bsse_type (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.bsse_type", false]], "bsseenum (class in psi4.driver.driver_nbody)": [[1775, "psi4.driver.driver_nbody.BsseEnum", false]], "bsvec (class in psi4.core)": [[5, "psi4.core.BSVec", false]], "bugs": [[1762, "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.erisieve static method)": [[70, "psi4.core.ERISieve.build", false]], "build() (psi4.core.jk static method)": [[93, "psi4.core.JK.build", false]], "build() (psi4.core.localizer static method)": [[98, "psi4.core.Localizer.build", false]], "build() (psi4.core.vbase static method)": [[148, "psi4.core.VBase.build", false]], "build() (psi4.core.wavefunction static method)": [[151, "psi4.core.Wavefunction.build", false]], "build_base() (psi4.core.functional static method)": [[81, "psi4.core.Functional.build_base", false]], "build_cabs_space() (psi4.core.orbitalspace static method)": [[116, "psi4.core.OrbitalSpace.build_cabs_space", false]], "build_collocation_cache() (psi4.core.vbase method)": [[148, "psi4.core.VBase.build_collocation_cache", false]], "build_jk() (psi4.core.jk static method)": [[93, "psi4.core.JK.build_JK", false]], "build_ri_space() (psi4.core.orbitalspace static method)": [[116, "psi4.core.OrbitalSpace.build_ri_space", false]], "build_sad() (psi4.core.sadguess static method)": [[132, "psi4.core.SADGuess.build_SAD", false]], "build_tasks() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.build_tasks", false]], "build_tasks() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.build_tasks", false]], "c() (psi4.core.orbitalspace method)": [[116, "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)": [[129, "psi4.core.RHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.uhf method)": [[146, "psi4.core.UHF.c1_deep_copy", false]], "c1_deep_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.c1_deep_copy", false]], "c2_x() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_x", false]], "c2_y() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_y", false]], "c2_z() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.c2_z", false]], "c_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_add", false]], "c_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_alpha", false]], "c_clear() (psi4.core.jk method)": [[93, "psi4.core.JK.C_clear", false]], "c_functional() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_functional", false]], "c_functionals() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_functionals", false]], "c_left_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_left_add", false]], "c_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_omega", false]], "c_os_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_os_alpha", false]], "c_right_add() (psi4.core.jk method)": [[93, "psi4.core.JK.C_right_add", false]], "c_ss_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.c_ss_alpha", false]], "ca() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Ca", false]], "ca() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Ca", false]], "ca_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Ca_subset", false]], "cachelevel (ccdensity)": [[1685, "term-CACHELEVEL-CCDENSITY", true]], "cachelevel (ccenergy)": [[1685, "term-CACHELEVEL-CCENERGY", true]], "cachelevel (cceom)": [[1685, "term-CACHELEVEL-CCEOM", true]], "cachelevel (cchbar)": [[1685, "term-CACHELEVEL-CCHBAR", true]], "cachelevel (cclambda)": [[1685, "term-CACHELEVEL-CCLAMBDA", true]], "cachelevel (ccresponse)": [[1685, "term-CACHELEVEL-CCRESPONSE", true]], "cachelevel (cctransort)": [[1685, "term-CACHELEVEL-CCTRANSORT", true]], "cachelevel (dct)": [[1685, "term-CACHELEVEL-DCT", true]], "cachelevel (occ)": [[1685, "term-CACHELEVEL-OCC", true]], "cachetype (ccenergy)": [[1685, "term-CACHETYPE-CCENERGY", true]], "cachetype (cceom)": [[1685, "term-CACHETYPE-CCEOM", true]], "calc_s_squared (detci)": [[1685, "term-CALC_S_SQUARED-DETCI", true]], "canonicalize_active_favg (mcscf)": [[1685, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF", true]], "canonicalize_inactive_favg (mcscf)": [[1685, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF", true]], "cart_hess_read (optking)": [[1685, "term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1685, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1757, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1757, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1757, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1757, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[285, "index-0", false], [1721, "index-0", false], [1721, "index-1", false], [1721, "index-2", false], [1721, "index-3", false], [1722, "index-0", false]], "cbs() (in module psi4.driver)": [[285, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1723, "index-0", false]], "cc (detci)": [[1685, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1757, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1757, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1757, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1757, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1757, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1757, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1757, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1757, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1757, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1757, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1757, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1757, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1757, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1757, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1757, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1757, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1757, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1757, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1757, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1723, "index-0", false]], "cc2 alpha-alpha pair energies": [[1757, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1757, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1757, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1757, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1757, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1757, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1757, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1757, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1757, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1757, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1757, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1757, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1757, "psivar-CC3-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc3 alpha-beta pair energies": [[1757, "psivar-CC3-ALPHA-BETA-PAIR-ENERGIES", false]], "cc3 correlation energy": [[1757, "psivar-CC3-CORRELATION-ENERGY", false]], "cc3 singlet pair energies": [[1757, "psivar-CC3-SINGLET-PAIR-ENERGIES", false]], "cc3 total energy": [[1757, "psivar-CC3-TOTAL-ENERGY", false]], "cc3 triplet pair energies": [[1757, "psivar-CC3-TRIPLET-PAIR-ENERGIES", false]], "cc3_follow_root (cceom)": [[1685, "term-CC3_FOLLOW_ROOT-CCEOM", true]], "cc4 correlation energy": [[1757, "psivar-CC4-CORRELATION-ENERGY", false]], "cc4 total energy": [[1757, "psivar-CC4-TOTAL-ENERGY", false]], "cc_a_ras3_max (detci)": [[1685, "term-CC_A_RAS3_MAX-DETCI", true]], "cc_b_ras3_max (detci)": [[1685, "term-CC_B_RAS3_MAX-DETCI", true]], "cc_diis_max_vecs (dfocc)": [[1685, "term-CC_DIIS_MAX_VECS-DFOCC", true]], "cc_diis_min_vecs (dfocc)": [[1685, "term-CC_DIIS_MIN_VECS-DFOCC", true]], "cc_ex_level (detci)": [[1685, "term-CC_EX_LEVEL-DETCI", true]], "cc_fix_external (detci)": [[1685, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1685, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1685, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1685, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1685, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1685, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1685, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1685, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1685, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1685, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1685, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1685, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1685, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1685, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1685, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1685, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1685, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1685, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1685, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1685, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1685, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1685, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1685, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1685, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1685, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1757, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1757, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1757, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1757, "psivar-CCD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccd singles energy": [[1757, "psivar-CCD-SINGLES-ENERGY", false]], "ccd total energy": [[1757, "psivar-CCD-TOTAL-ENERGY", false]], "ccd_e_convergence (sapt)": [[1685, "term-CCD_E_CONVERGENCE-SAPT", true]], "ccd_maxiter (sapt)": [[1685, "term-CCD_MAXITER-SAPT", true]], "ccd_t_convergence (sapt)": [[1685, "term-CCD_T_CONVERGENCE-SAPT", true]], "ccdensity() (in module psi4.core)": [[161, "psi4.core.ccdensity", false]], "ccenergy() (in module psi4.core)": [[162, "psi4.core.ccenergy", false]], "cceom() (in module psi4.core)": [[163, "psi4.core.cceom", false]], "cchbar() (in module psi4.core)": [[164, "psi4.core.cchbar", false]], "ccl_energy (occ)": [[1685, "term-CCL_ENERGY-OCC", true]], "cclambda() (in module psi4.core)": [[165, "psi4.core.cclambda", false]], "ccn correlation energy": [[1757, "psivar-CCn-CORRELATION-ENERGY", false]], "ccn total energy": [[1757, "psivar-CCn-TOTAL-ENERGY", false]], "ccn-1a correlation energy": [[1757, "psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1757, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1757, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1757, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1757, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1757, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m (in h) -> root n (in i) einstein a (len)": [[1757, "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)": [[1757, "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)": [[1757, "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)": [[1757, "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)": [[1757, "psivar-CCname-ROOT-m-IN-h-ROOT-n-IN-i-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n einstein a (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN", false]], "ccname root m -> root n einstein a (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-A-LEN-h-TRANSITION", false]], "ccname root m -> root n einstein b (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1757, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1757, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1757, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1757, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1757, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1757, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1757, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1757, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1757, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1757, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1757, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1757, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1757, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1757, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1757, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1757, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1757, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1757, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1757, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[166, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1757, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1757, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1757, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1757, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1757, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1757, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1757, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1757, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1757, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1757, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1757, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1757, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1757, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1757, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1757, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1757, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1757, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1757, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1757, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1752, "index-1", false]], "ccsd(t) correlation energy": [[1757, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1757, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1757, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1757, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1757, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1757, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1757, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1757, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1757, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1757, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1757, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1757, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1757, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1757, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1757, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1757, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1757, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1757, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1757, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1757, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1757, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1757, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1757, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1757, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1757, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1757, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1757, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1757, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[167, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[168, "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)": [[104, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1752, "index-1", false]], "cepa(0) correlation energy": [[1757, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1757, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1757, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1757, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1757, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1757, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1757, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1757, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1757, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1757, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1757, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1757, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1757, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1757, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1757, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1757, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1757, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1757, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1757, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1757, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1757, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1757, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1757, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1757, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1757, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1757, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1685, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1685, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1685, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1685, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1685, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1685, "term-CEPA_TYPE-OCC", true]], "cfour": [[1724, "index-0", false]], "cfour error code": [[1757, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1685, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1685, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1685, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1685, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1685, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1685, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1685, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1685, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1685, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1685, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1685, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1685, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1685, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1685, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1685, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1685, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1685, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1685, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1685, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1685, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1685, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1685, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1685, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1685, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1685, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1685, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1685, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1685, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1685, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1685, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1685, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1685, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1685, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1685, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1685, 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true]], "cfour_fd_irreps (cfour)": [[1685, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1685, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1685, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1685, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1685, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1685, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1685, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1685, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1685, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1685, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1685, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1685, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1685, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1685, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1685, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1685, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1685, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1685, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1685, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1685, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1685, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1685, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1685, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1685, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1685, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1685, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1685, "term-CFOUR_INPUT_MRCC-CFOUR", true]], 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"term-CFOUR_NEGEVAL-CFOUR", true]], "cfour_newnorm (cfour)": [[1685, "term-CFOUR_NEWNORM-CFOUR", true]], "cfour_nonhf (cfour)": [[1685, "term-CFOUR_NONHF-CFOUR", true]], "cfour_ntop_tamp (cfour)": [[1685, "term-CFOUR_NTOP_TAMP-CFOUR", true]], "cfour_occupation (cfour)": [[1685, "term-CFOUR_OCCUPATION-CFOUR", true]], "cfour_omp_num_threads (cfour)": [[1685, "term-CFOUR_OMP_NUM_THREADS-CFOUR", true]], "cfour_open-shell (cfour)": [[1685, "term-CFOUR_OPEN-SHELL-CFOUR", true]], "cfour_opt_maxcyc (cfour)": [[1685, "term-CFOUR_OPT_MAXCYC-CFOUR", true]], "cfour_orbitals (cfour)": [[1685, "term-CFOUR_ORBITALS-CFOUR", true]], "cfour_pert_orb (cfour)": [[1685, "term-CFOUR_PERT_ORB-CFOUR", true]], "cfour_points (cfour)": [[1685, "term-CFOUR_POINTS-CFOUR", true]], "cfour_print (cfour)": [[1685, "term-CFOUR_PRINT-CFOUR", true]], "cfour_prop_integral (cfour)": [[1685, "term-CFOUR_PROP_INTEGRAL-CFOUR", true]], "cfour_props (cfour)": [[1685, "term-CFOUR_PROPS-CFOUR", true]], "cfour_qrhf_general 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"psi4.core.HF.check_phases", false]], "chemps2": [[1727, "index-0", false]], "cholesky (dfocc)": [[1685, "term-CHOLESKY-DFOCC", true]], "cholesky_factorize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.cholesky_factorize", false]], "cholesky_tolerance (dfocc)": [[1685, "term-CHOLESKY_TOLERANCE-DFOCC", true]], "cholesky_tolerance (fnocc)": [[1685, "term-CHOLESKY_TOLERANCE-FNOCC", true]], "cholesky_tolerance (scf)": [[1685, "term-CHOLESKY_TOLERANCE-SCF", true]], "ci": [[1736, "index-0", false], [1736, "index-1", false], [1736, "index-2", false], [1736, "index-3", false], [1736, "index-4", false], [1736, "index-5", false], [1770, "index-2", false]], "ci correlation energy": [[1757, "psivar-CI-CORRELATION-ENERGY", false]], "ci dipole": [[1757, "psivar-CI-DIPOLE", false]], "ci quadrupole": [[1757, "psivar-CI-QUADRUPOLE", false]], "ci root n -> root m dipole": [[1757, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", false]], "ci root n -> root m quadrupole": [[1757, 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"term-CI_TYPE-GLOBALS", true]], "ciblks_print (detci)": [[1685, "term-CIBLKS_PRINT-DETCI", true]], "cin correlation energy": [[1757, "psivar-CIn-CORRELATION-ENERGY", false]], "cin total energy": [[1757, "psivar-CIn-TOTAL-ENERGY", false]], "cisd correlation energy": [[1757, "psivar-CISD-CORRELATION-ENERGY", false]], "cisd dipole": [[1757, "psivar-CISD-DIPOLE", false]], "cisd doubles energy": [[1757, "psivar-CISD-DOUBLES-ENERGY", false]], "cisd opposite-spin correlation energy": [[1757, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cisd quadrupole": [[1757, "psivar-CISD-QUADRUPOLE", false]], "cisd same-spin correlation energy": [[1757, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", false]], "cisd singles energy": [[1757, "psivar-CISD-SINGLES-ENERGY", false]], "cisd total energy": [[1757, "psivar-CISD-TOTAL-ENERGY", false]], "cisdt correlation energy": [[1757, "psivar-CISDT-CORRELATION-ENERGY", false]], "cisdt total energy": [[1757, "psivar-CISDT-TOTAL-ENERGY", false]], "cisdtq correlation energy": [[1757, "psivar-CISDTQ-CORRELATION-ENERGY", false]], "cisdtq total energy": [[1757, "psivar-CISDTQ-TOTAL-ENERGY", false]], "citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.citation", false]], "citation() (psi4.core.functional method)": [[81, "psi4.core.Functional.citation", false]], "citation() (psi4.core.superfunctional method)": [[139, "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)": [[134, "psi4.core.SOMCSCF.Ck", false]], "clean() (in module psi4.core)": [[169, "psi4.core.clean", false]], "clean_options() (in module psi4.core)": [[170, "psi4.core.clean_options", false]], "clean_timers() (in module psi4.core)": [[171, "psi4.core.clean_timers", false]], "clean_variables() (in module psi4.core)": [[172, "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)": [[74, "psi4.core.ExternalPotential.clear", false]], "clear() (psi4.core.oeprop method)": [[112, "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)": [[148, "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)": [[85, "psi4.core.HF.clear_external_cpscf_perturbations", false]], "clear_external_potentials() (psi4.core.hf method)": [[85, "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)": [[89, "psi4.core.IntVector.clone", false]], "clone() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.clone", false]], "clone() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.clone", false]], "clone() (psi4.core.vector method)": [[149, "psi4.core.Vector.clone", false]], "close() (psi4.core.io method)": [[87, "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)": [[173, "psi4.core.close_outfile", false]], "coef (psi4.core.salccomponent attribute)": [[135, "psi4.core.SalcComponent.coef", false]], "coef() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.coef", false]], "coldim() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.coldim", false]], "coldim() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.coldim", false]], "coldim() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.coldim", false]], "collapse_size (detci)": [[1685, "term-COLLAPSE_SIZE-DETCI", true]], "collapse_with_last (cceom)": [[1685, "term-COLLAPSE_WITH_LAST-CCEOM", true]], "collapse_with_last_cc3 (cceom)": [[1685, "term-COLLAPSE_WITH_LAST_CC3-CCEOM", true]], "collocation": [[1754, "index-0", false]], "collocation_size() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.collocation_size", false]], "colors (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.colors", false]], "cols() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.cols", false]], "com_fixed() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.com_fixed", false]], "comment() (psi4.core.molecule method)": [[107, "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)": [[286, "psi4.driver.compare_fchkfiles", false]], "compare_fchkfiles() (in module psi4.driver.p4util)": [[337, "psi4.driver.p4util.compare_fchkfiles", false]], "compare_fcidumps() (in module psi4)": [[2, "psi4.compare_fcidumps", false]], "compare_fcidumps() (in module psi4.driver)": [[287, "psi4.driver.compare_fcidumps", false]], "compare_fcidumps() (in module psi4.driver.p4util)": [[338, "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)": [[288, "psi4.driver.compare_moldenfiles", false]], "compare_moldenfiles() (in module psi4.driver.p4util)": [[339, "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)": [[384, "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": [[1762, "index-1", false]], "compiling": [[1719, "index-0", false]], "complete_basis_set()": [[1721, "index-0", false]], "complex_tolerance (cceom)": [[1685, "term-COMPLEX_TOLERANCE-CCEOM", true]], "compositejk (class in psi4.core)": [[18, "psi4.core.CompositeJK", false]], "comput_s2 (dfocc)": [[1685, "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)": [[71, "psi4.core.ESPPropCalc.compute_field_over_grid_in_memory", false]], "compute_fock_like_matrices() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.compute_fock_like_matrices", false]], "compute_functional() (psi4.core.functional method)": [[81, "psi4.core.Functional.compute_functional", false]], "compute_functional() (psi4.core.superfunctional method)": [[139, "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)": [[85, "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)": [[148, "psi4.core.VBase.compute_gradient", false]], 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"compute_spin_contamination() (psi4.core.hf method)": [[85, "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)": [[95, "psi4.core.LS_THC_Computer.compute_thc_factorization", false]], "compute_triples (fnocc)": [[1685, "term-COMPUTE_TRIPLES-FNOCC", true]], "compute_v() (psi4.core.vbase method)": [[148, "psi4.core.VBase.compute_V", false]], "compute_vx() (psi4.core.vbase method)": [[148, "psi4.core.VBase.compute_Vx", false]], "computed (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.computed", false]], "computed_shells_per_iter() (psi4.core.jk method)": [[93, "psi4.core.JK.computed_shells_per_iter", false]], "computeexternexterninteraction() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computeExternExternInteraction", false]], "computenuclearenergy() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computeNuclearEnergy", false]], "computepotentialmatrix() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.computePotentialMatrix", false]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer", false]], "conda_prefix": [[1719, "index-20", false], [1719, "index-22", false], [1748, "envvar-CONDA_PREFIX", false]], "connectivity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.connectivity", false]], "consecutive_backsteps (optking)": [[1685, "term-CONSECUTIVE_BACKSTEPS-OPTKING", true]], "constrained": [[1783, "index-2", false]], "construct_from_pydict() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.construct_from_pydict", false]], "contact": [[1762, "index-3", false]], "continuum solvation": [[1735, "index-0", false], [1784, "index-0", false]], "converged (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.converged", false]], "convergence criteria": [[1783, "index-3", false]], "convergenceerror": [[267, "psi4.driver.ConvergenceError", false]], "copy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.copy", false]], "copy() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.copy", false]], "copy() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.copy", false]], "copy() (psi4.core.vector method)": [[149, "psi4.core.Vector.copy", false]], "copy_file_from_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_from_scratch", false]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[340, "psi4.driver.p4util.copy_file_from_scratch", false]], "copy_file_to_scratch() (in module psi4.driver)": [[290, "psi4.driver.copy_file_to_scratch", false]], "copy_file_to_scratch() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.copy_file_to_scratch", false]], "copy_lower_to_upper() 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(class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1735, "index-0", false]], "cosx_basis_tolerance (scf)": [[1685, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1685, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1685, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1685, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1685, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1685, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1685, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1685, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1685, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1685, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1814, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1775, "index-1", false]], "coupled_induction (sapt)": [[1685, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1685, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1685, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1685, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1775, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1757, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1685, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1685, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1685, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[85, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1685, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1730, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1719, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1719, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[109, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[102, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[291, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.Ct", false]], "cube": [[1731, "index-0", false]], "cubeprop": [[1731, "index-0", false]], "cubeprop() (in module psi4.driver)": [[292, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1685, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1685, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1685, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1685, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1685, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in 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"psivar-CURRENT-DIPOLE-GRADIENT", false]], "current energy": [[1757, "psivar-CURRENT-ENERGY", false]], "current gradient": [[1757, "psivar-CURRENT-GRADIENT", false]], "current hessian": [[1757, "psivar-CURRENT-HESSIAN", false]], "current reference energy": [[1757, "psivar-CURRENT-REFERENCE-ENERGY", false]], "current_afock() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_AFock", false]], "current_ci_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_ci_energy", false]], "current_docc_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_docc_energy", false]], "current_ifock() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_IFock", false]], "current_total_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.current_total_energy", false]], "custom scs-lccd correlation energy": [[1757, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1757, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1757, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1757, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1757, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1757, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1757, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1757, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1757, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1757, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1757, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1757, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1757, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1757, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1757, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "cutoff (dfocc)": [[1685, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1685, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1685, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[93, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1685, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1685, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1685, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1685, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1819, "index-2", false]], "damping_convergence (scf)": [[1685, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1685, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1685, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1685, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1685, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1685, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[85, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[148, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1733, "index-0", false], [1733, "index-3", false], [1733, "index-4", false], [1816, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1733, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1733, "index-0", false]], "db() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1757, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1757, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1757, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[151, "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": [[1734, "index-0", false]], "dct lambda energy": [[1757, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1757, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1757, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1757, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[174, "psi4.core.dct", false]], "dct_functional (dct)": [[1685, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1685, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1685, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1757, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1735, "index-0", false]], "ddx (globals)": [[1685, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1685, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1685, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1685, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1685, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1685, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1685, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1685, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1685, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1685, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1685, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1685, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1685, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1685, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1685, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1685, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1685, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1685, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1685, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1685, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1685, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1685, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1685, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1685, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1685, "term-DEBUG-CPHF", true]], "debug (globals)": [[1685, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1713, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[175, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[176, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[177, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1685, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1721, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1685, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1685, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[96, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[141, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[96, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[141, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1737, "index-0", false], [1752, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[139, "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)": [[139, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1685, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1685, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[81, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1757, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[178, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1685, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1752, "index-1", false]], "df-mp2": [[1737, "index-0", false], [1737, "index-1", false]], "df_basis_cc (fnocc)": [[1685, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1685, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1685, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1685, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1685, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1685, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1685, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1685, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1685, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1685, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1685, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1685, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1685, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1685, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1685, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1685, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1685, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1685, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1685, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1685, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1685, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1685, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1685, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1685, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1685, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[103, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[179, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1685, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1685, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1685, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[180, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1738, "index-0", false], [1739, "index-0", false], [1765, "index-0", false]], "dft dipole gradient": [[1757, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1757, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1757, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1757, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1757, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1757, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1757, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1685, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1685, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1685, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1685, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1685, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1685, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1685, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1685, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1685, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1685, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1685, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1685, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1685, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1685, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1685, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1685, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1685, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1685, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1685, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1685, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1685, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1685, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1685, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1685, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1685, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1685, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1685, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1685, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1685, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1685, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1685, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1685, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1685, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1685, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1740, "index-0", false]], "dftd4": [[1740, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1741, "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)": [[77, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1685, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1685, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1685, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1685, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1819, "index-2", false]], "diis (ccenergy)": [[1685, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1685, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1685, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1685, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1685, "term-DIIS-MCSCF", true]], "diis (scf)": [[1685, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[85, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[129, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[146, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1685, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1685, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1685, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1685, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1685, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1685, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1685, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1685, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1685, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1685, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1685, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1685, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1685, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1685, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1685, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1685, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1685, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[149, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[149, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1685, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1685, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[104, "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)": [[268, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1685, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1757, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1756, "index-0", false]], "distributed_matrix (scf)": [[1685, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1743, "index-0", false]], "dkh_order (globals)": [[1685, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[181, "psi4.core.dlpno", false]], "dlpno-mp2": [[1744, "index-0", false], [1744, "index-1", false]], "dlpno_algorithm (dlpno)": [[1685, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1685, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1685, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1756, "index-0", false]], "dma distributed multipoles": [[1757, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1757, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[182, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1757, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1757, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1685, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1685, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1685, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1685, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1685, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1685, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1685, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1685, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1685, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1685, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1685, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1685, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1685, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1685, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1685, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1685, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1685, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1685, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1685, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1685, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1685, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1685, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1685, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1685, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1685, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], "do_ccd_disp (sapt)": [[1685, "term-DO_CCD_DISP-SAPT", true]], "do_cubes() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.do_cubes", false]], "do_diis (dfocc)": [[1685, "term-DO_DIIS-DFOCC", true]], "do_diis (occ)": [[1685, "term-DO_DIIS-OCC", true]], "do_disp_exch_sinf (sapt)": [[1685, "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)": [[1685, "term-DO_IND30_EXCH_SINF-SAPT", true]], "do_ind_exch_sinf (sapt)": [[1685, "term-DO_IND_EXCH_SINF-SAPT", true]], "do_level_shift (dfocc)": [[1685, "term-DO_LEVEL_SHIFT-DFOCC", true]], "do_level_shift (occ)": [[1685, "term-DO_LEVEL_SHIFT-OCC", true]], "do_mbpt_disp (sapt)": [[1685, "term-DO_MBPT_DISP-SAPT", true]], "do_scs (dfocc)": [[1685, "term-DO_SCS-DFOCC", true]], "do_scs (occ)": [[1685, "term-DO_SCS-OCC", true]], "do_sos (dfocc)": [[1685, "term-DO_SOS-DFOCC", true]], "do_sos (occ)": [[1685, "term-DO_SOS-OCC", true]], "do_third_order (sapt)": [[1685, "term-DO_THIRD_ORDER-SAPT", true]], "docc (globals)": [[1685, "term-DOCC-GLOBALS", true]], "docc (mcscf)": [[1685, "term-DOCC-MCSCF", true]], "doccpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.doccpi", false]], "docs_table_link() (in module psi4.driver)": [[293, "psi4.driver.docs_table_link", false]], "docs_table_link() (in module psi4.driver.p4util)": [[344, "psi4.driver.p4util.docs_table_link", false]], "doi_basis_tolerance (dlpno)": [[1685, "term-DOI_BASIS_TOLERANCE-DLPNO", true]], "doi_pruning_scheme (dlpno)": [[1685, "term-DOI_PRUNING_SCHEME-DLPNO", true]], "doi_radial_points (dlpno)": [[1685, "term-DOI_RADIAL_POINTS-DLPNO", true]], "doi_spherical_points (dlpno)": [[1685, "term-DOI_SPHERICAL_POINTS-DLPNO", true]], "domain (psi4.driver.p4util.lineshape attribute)": [[325, "psi4.driver.p4util.Lineshape.domain", false]], "dot() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.dot", false]], "double-hybrid correction energy": [[1757, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", false]], "doublet() (in module psi4.core)": [[183, "psi4.core.doublet", false]], "doublet() (psi4.core.matrix static method)": [[101, "psi4.core.Matrix.doublet", false]], "dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.DPD_ID", false]], "dpdbuf4 (class in psi4.core)": [[184, "psi4.core.dpdbuf4", false]], "dpdfile2 (class in psi4.core)": [[185, "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)": [[266, "psi4.driver.AtomicComputer.driver", false]], "driver (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.driver", false]], "driver (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.driver", false]], "driver (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.driver", false]], "drop_duplicates() (in module psi4.driver.p4util)": [[345, "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)": [[99, "psi4.core.MOSpace.dum", false]], "dummy_einsums() (in module psi4.core)": [[186, "psi4.core.dummy_einsums", false]], "dummy_integratorxx() (in module psi4.core)": [[187, "psi4.core.dummy_integratorxx", false]], "dynamic_level (optking)": [[1685, "term-DYNAMIC_LEVEL-OPTKING", true]], "dynamic_variable_bind() (in module psi4.driver)": [[294, "psi4.driver.dynamic_variable_bind", false]], "e() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.E", false]], "e3_scale (dfocc)": [[1685, "term-E3_SCALE-DFOCC", true]], "e3_scale (occ)": [[1685, "term-E3_SCALE-OCC", true]], "e_conv (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.e_conv", false]], "e_convergence (ccenergy)": [[1685, "term-E_CONVERGENCE-CCENERGY", true]], "e_convergence (cceom)": [[1685, "term-E_CONVERGENCE-CCEOM", true]], "e_convergence (dct)": [[1685, "term-E_CONVERGENCE-DCT", true]], "e_convergence (detci)": [[1685, "term-E_CONVERGENCE-DETCI", true]], "e_convergence (dfocc)": [[1685, "term-E_CONVERGENCE-DFOCC", true]], "e_convergence (dlpno)": [[1685, "term-E_CONVERGENCE-DLPNO", true]], "e_convergence (fnocc)": [[1685, "term-E_CONVERGENCE-FNOCC", true]], "e_convergence (mcscf)": [[1685, "term-E_CONVERGENCE-MCSCF", true]], "e_convergence (mrcc)": [[1685, "term-E_CONVERGENCE-MRCC", true]], "e_convergence (occ)": [[1685, "term-E_CONVERGENCE-OCC", true]], "e_convergence (psimrcc)": [[1685, "term-E_CONVERGENCE-PSIMRCC", true]], "e_convergence (scf)": [[1685, "term-E_CONVERGENCE-SCF", true]], "ea_poles (occ)": [[1685, "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": [[1746, "index-0", false]], "efp": [[1763, "index-0", false], [1763, "index-1", false], [1763, "index-4", false], [1763, "index-5", false]], "efp disp energy": [[1757, "psivar-EFP-DISP-ENERGY", false]], "efp elst energy": [[1757, "psivar-EFP-ELST-ENERGY", false]], "efp exch energy": [[1757, "psivar-EFP-EXCH-ENERGY", false]], "efp ind energy": [[1757, "psivar-EFP-IND-ENERGY", false]], "efp torque": [[1757, "psivar-EFP-TORQUE", false]], "efp total energy": [[1757, "psivar-EFP-TOTAL-ENERGY", false]], "efp_disp (efp)": [[1685, "term-EFP_DISP-EFP", true]], "efp_disp_damping (efp)": [[1685, "term-EFP_DISP_DAMPING-EFP", true]], "efp_elst (efp)": [[1685, "term-EFP_ELST-EFP", true]], "efp_elst_damping (efp)": [[1685, "term-EFP_ELST_DAMPING-EFP", true]], "efp_exch (efp)": [[1685, "term-EFP_EXCH-EFP", true]], "efp_ind (efp)": [[1685, "term-EFP_IND-EFP", true]], "efp_ind_damping (efp)": [[1685, "term-EFP_IND_DAMPING-EFP", true]], "efp_qm_elst (efp)": [[1685, "term-EFP_QM_ELST-EFP", true]], "efp_qm_ind (efp)": [[1685, "term-EFP_QM_IND-EFP", true]], "efzc() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.efzc", false]], "ekt_ea (occ)": [[1685, "term-EKT_EA-OCC", true]], "ekt_ip (dfocc)": [[1685, "term-EKT_IP-DFOCC", true]], "ekt_ip (occ)": [[1685, "term-EKT_IP-OCC", true]], "electric_field() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.electric_field", false]], "electric_field() (psi4.core.mintshelper method)": 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"term-FILTER_ZERO_DET-DETCI", true]], "finalize() (in module psi4.core)": [[189, "psi4.core.finalize", false]], "finalize() (psi4.core.hf method)": [[85, "psi4.core.HF.finalize", false]], "finalize() (psi4.core.jk method)": [[93, "psi4.core.JK.finalize", false]], "finalize() (psi4.core.vbase method)": [[148, "psi4.core.VBase.finalize", false]], "finalize_energy() (psi4.core.hf method)": [[85, "psi4.core.HF.finalize_energy", false]], "find() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.find", false]], "find_approximate_string_matches() (in module psi4.driver)": [[300, "psi4.driver.find_approximate_string_matches", false]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.find_approximate_string_matches", false]], "find_highest_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.find_highest_point_group", false]], "find_occupation() (psi4.core.hf method)": [[85, "psi4.core.HF.find_occupation", false]], 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[[1685, "term-FISAPT_DO_FSAPT_DISP-FISAPT", true]], "fisapt_do_plot (fisapt)": [[1685, "term-FISAPT_DO_PLOT-FISAPT", true]], "fisapt_exch_parperp (fisapt)": [[1685, "term-FISAPT_EXCH_PARPERP-FISAPT", true]], "fisapt_fsapt_exch_scale (fisapt)": [[1685, "term-FISAPT_FSAPT_EXCH_SCALE-FISAPT", true]], "fisapt_fsapt_filepath (fisapt)": [[1685, "term-FISAPT_FSAPT_FILEPATH-FISAPT", true]], "fisapt_fsapt_ind_response (fisapt)": [[1685, "term-FISAPT_FSAPT_IND_RESPONSE-FISAPT", true]], "fisapt_fsapt_ind_scale (fisapt)": [[1685, "term-FISAPT_FSAPT_IND_SCALE-FISAPT", true]], "fisapt_fssapt_filepath (fisapt)": [[1685, "term-FISAPT_FSSAPT_FILEPATH-FISAPT", true]], "fisapt_link_assignment (fisapt)": [[1685, "term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1685, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1685, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1685, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1685, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1685, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[78, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[79, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1685, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[190, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1752, "index-0", false]], "fno-ccsd(t)": [[1752, "index-1", false]], "fno-mp4": [[1752, "index-1", false]], "fno-qcisd(t)": [[1752, "index-1", false]], "fnocc": [[1752, "index-2", false], [1752, "index-3", false]], "fnocc() (in module psi4.core)": [[191, "psi4.core.fnocc", false]], "follow_root (detci)": [[1685, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1685, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1685, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1685, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1685, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1685, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1685, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1685, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[85, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[85, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[85, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[85, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[85, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[85, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[85, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[85, "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)": [[79, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[85, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[107, "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)": [[76, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[85, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1685, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1685, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1685, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1685, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[85, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1685, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1685, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1685, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1685, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[80, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_core (globals)": [[1685, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1685, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1685, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1685, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1685, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1753, "index-0", false]], "freq() (in module psi4.driver)": [[301, "psi4.driver.freq", false]], "frequencies()": [[1753, "index-0", false]], "frequencies() (in module psi4.driver)": [[302, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1753, "index-0", false]], "frequency() (in module psi4.driver)": [[303, "psi4.driver.frequency", false]], "frequency();": [[1753, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[107, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[151, "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)": [[101, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[149, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[107, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1752, "index-0", false]], "frozen natural orbitals": [[1752, "index-1", false]], "frozen_bend (optking)": [[1685, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1685, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1685, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1685, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1685, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1685, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1685, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1685, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1685, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1753, "index-0", false], [1781, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[82, "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)": [[81, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[85, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[148, "psi4.core.VBase.functional", false]], "functionals": [[1765, "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)": [[107, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.fZ", false], [107, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1685, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[325, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1754, "index-0", false]], "gauge (adc)": [[1685, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1685, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1685, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1750, "index-0", false]], "gaussianshell (class in psi4.core)": [[82, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[83, "psi4.core.GaussianType", false]], "gcp": [[1755, "index-0", false]], "gdma": [[1756, "index-0", false]], "gdma() (in module psi4.driver)": [[304, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1685, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1685, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1685, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1685, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1685, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1813, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1685, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1781, "index-0", false], [1783, "index-1", false], [1783, "index-2", false], [1783, "index-3", false], [1783, "index-4", false]], "geometry optimization, optimization": [[1783, "index-0", false]], "geometry() (in module psi4.driver)": [[305, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[84, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[149, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[192, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[79, "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)": [[151, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[193, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[194, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[148, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[149, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[115, "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)": [[115, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[195, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[151, "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)": [[151, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[115, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[196, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[197, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[115, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[115, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[198, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[199, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[306, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[354, "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)": [[91, "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)": [[79, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[97, "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)": [[148, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[200, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[93, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[93, "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)": [[201, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[202, "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)": [[203, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[266, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[79, "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)": [[151, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[115, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[91, "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)": [[76, "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)": [[204, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[205, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[93, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[206, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[95, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[87, "psi4.core.IO.getpid", false]], "ghost": [[1814, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1814, "index-3", false]], "gibbs free energy": [[1757, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1757, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[207, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1781, "index-0", false]], "gradient() (in module psi4.driver)": [[307, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1685, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1757, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1757, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1757, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[148, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1685, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[85, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[85, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[85, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1685, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1685, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1685, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1685, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1685, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1685, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1685, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1685, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1685, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1685, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1685, "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)": [[357, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1824, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1819, "index-0", false]], "has_array_variable() (in module psi4.core)": [[208, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[151, "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)": [[209, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[210, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[211, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[151, "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)": [[212, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[213, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1685, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1685, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1685, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1685, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1685, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1685, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1685, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1685, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1685, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1685, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1753, "index-0", false]], "hessian() (in module psi4.driver)": [[308, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1685, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1819, "index-0", false]], "hf (class in psi4.core)": [[85, "psi4.core.HF", false]], "hf dipole gradient": [[1757, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1757, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1757, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1757, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1757, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1757, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1757, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1818, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.hold_options_state", false]], "host": [[1719, "index-21", false], [1719, "index-23", false], [1748, "envvar-HOST", false]], "i() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.i", false]], "icore (detci)": [[1685, "term-ICORE-DETCI", true]], "id() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.id", false]], "idamax() (in module psi4.core)": [[86, "psi4.core.IDAMAX", false]], "identity() (psi4.core.matrix method)": [[101, "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)": [[359, "psi4.driver.p4util.import_ignorecase", false]], "incfock (scf)": [[1685, "term-INCFOCK-SCF", true]], "incfock_convergence (scf)": [[1685, "term-INCFOCK_CONVERGENCE-SCF", true]], "incfock_full_fock_every (scf)": [[1685, "term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1685, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[149, "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)": [[214, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[93, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[148, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[324, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1719, "index-0", false]], "intcos_generate_exit (optking)": [[1685, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integral", false]], "integral() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.integral", false]], "integral_cutoff (dfocc)": [[1685, "term-INTEGRAL_CUTOFF-DFOCC", true]], "integral_package (globals)": [[1685, "term-INTEGRAL_PACKAGE-GLOBALS", true]], "integralfactory (class in psi4.core)": [[90, "psi4.core.IntegralFactory", false]], "integrals": [[1764, "index-0", false], [1820, "index-0", false]], "integrals() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals", false]], "integrals_erf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals_erf", false]], "integrals_erfc() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.integrals_erfc", false]], "integraltransform (class in psi4.core)": [[91, "psi4.core.IntegralTransform", false]], "interfrag_collinear_tol (optking)": [[1685, "term-INTERFRAG_COLLINEAR_TOL-OPTKING", true]], "interfrag_coords (optking)": [[1685, "term-INTERFRAG_COORDS-OPTKING", true]], "interfrag_dist_inv (optking)": [[1685, "term-INTERFRAG_DIST_INV-OPTKING", true]], "interfrag_hess (optking)": [[1685, "term-INTERFRAG_HESS-OPTKING", true]], "interfrag_mode (optking)": [[1685, "term-INTERFRAG_MODE-OPTKING", true]], "interfrag_step_limit (optking)": [[1685, "term-INTERFRAG_STEP_LIMIT-OPTKING", true]], "interfragment_connect (optking)": [[1685, "term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1685, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1685, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1685, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1685, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1685, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1685, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1685, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1685, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1685, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1685, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[89, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[87, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[88, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[89, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1749, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1685, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[309, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1749, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1783, "index-2", false]], "irc_direction (optking)": [[1685, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1685, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1685, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[92, "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)": [[107, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[82, "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)": [[81, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[81, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() (psi4.core.fittingmetric method)": [[79, "psi4.core.FittingMetric.is_poisson", false]], "is_pure() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.is_pure", false]], "is_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.is_variable", false]], "is_x_hybrid() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_x_hybrid", false]], "is_x_lrc() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.is_x_lrc", false]], "isa": [[1780, "index-1", false]], "isotope": [[1814, "index-4", false]], "isotopes": [[1814, "index-4", false]], "isotropic_pol (pe)": [[1685, "term-ISOTROPIC_POL-PE", true]], "istop (detci)": [[1685, "term-ISTOP-DETCI", true]], "iteration (psi4.driver.convergenceerror attribute)": [[267, "psi4.driver.ConvergenceError.iteration", false]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[271, "psi4.driver.OptimizationConvergenceError.iteration", false]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.iteration", false]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.iteration", false]], "iteration_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.iteration_", false]], "iteration_energies (psi4.core.hf attribute)": [[85, "psi4.core.HF.iteration_energies", false]], "iterations() (psi4.core.hf method)": [[85, "psi4.core.HF.iterations", false]], "j() (psi4.core.jk method)": [[93, "psi4.core.JK.J", false]], "jk (class in psi4.core)": [[93, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[85, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1685, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[93, "psi4.core.JK.K", false]], "keywords": [[1721, "index-0", false], [1733, "index-0", false], [1742, "index-0", false], [1747, "index-0", false], [1753, "index-0", false], [1775, "index-1", false], [1781, "index-0", false], [1807, "index-0", false], [1813, "index-2", false], [1814, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1685, "term-KIND-ADC", true]], "kinetic() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.kinetic", false]], "kinetic_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.kinetic_grad", false]], "kineticint (class in psi4.core)": [[94, "psi4.core.KineticInt", false]], "kwargs_lower() (in module psi4.driver.p4util)": [[360, "psi4.driver.p4util.kwargs_lower", false]], "l (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.L", false]], "label() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.label", false]], "label() (psi4.core.mospace method)": [[99, "psi4.core.MOSpace.label", false]], "lagrangian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.lagrangian", false]], "laplacedenominator (class in psi4.core)": [[96, "psi4.core.LaplaceDenominator", false]], "lcc2 (+lmp2) total energy": [[1757, "psivar-LCC2-LMP2-TOTAL-ENERGY", false]], "lccd correlation energy": [[1757, "psivar-LCCD-CORRELATION-ENERGY", false]], "lccd doubles energy": [[1757, "psivar-LCCD-DOUBLES-ENERGY", false]], "lccd opposite-spin correlation energy": [[1757, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1757, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1757, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1757, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1752, "index-1", false]], "lccsd (+lmp2) total energy": [[1757, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd correlation energy": [[1757, "psivar-LCCSD-CORRELATION-ENERGY", false]], "lccsd doubles energy": [[1757, "psivar-LCCSD-DOUBLES-ENERGY", false]], "lccsd opposite-spin correlation energy": [[1757, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccsd same-spin correlation energy": [[1757, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccsd singles energy": [[1757, "psivar-LCCSD-SINGLES-ENERGY", false]], "lccsd total energy": [[1757, "psivar-LCCSD-TOTAL-ENERGY", false]], "left-right cc2 eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", false]], "left-right cc3 eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", false]], "left-right ccsd eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", false]], "left-right ccsd(t) eigenvector overlap": [[1757, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", false]], "level_shift (dfocc)": [[1685, "term-LEVEL_SHIFT-DFOCC", true]], "level_shift (mcscf)": [[1685, 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module psi4.core)": [[215, "psi4.core.libint2_solid_harmonics_ordering", false]], "library fragments": [[1763, "index-1", false], [1763, "index-5", false]], "libxc": [[1765, "index-0", false]], "libxcfunctional (class in psi4.core)": [[97, "psi4.core.LibXCFunctional", false]], "license": [[1762, "index-2", false]], "light (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.light", false]], "light_color (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.light_color", false]], "linear (ccresponse)": [[1685, "term-LINEAR-CCRESPONSE", true]], "lineq_solver (dfocc)": [[1685, "term-LINEQ_SOLVER-DFOCC", true]], "lineshape (class in psi4.driver.p4util)": [[325, "psi4.driver.p4util.Lineshape", false]], "lineshape() (psi4.driver.p4util.gaussian method)": [[323, "psi4.driver.p4util.Gaussian.lineshape", false]], "lineshape() (psi4.driver.p4util.lineshape method)": [[325, "psi4.driver.p4util.Lineshape.lineshape", false]], "lineshape() 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"term-LOCAL_CPHF_CUTOFF-CCENERGY", true]], "local_cphf_cutoff (cclambda)": [[1685, "term-LOCAL_CPHF_CUTOFF-CCLAMBDA", true]], "local_cphf_cutoff (ccresponse)": [[1685, "term-LOCAL_CPHF_CUTOFF-CCRESPONSE", true]], "local_cutoff (ccenergy)": [[1685, "term-LOCAL_CUTOFF-CCENERGY", true]], "local_cutoff (cceom)": [[1685, "term-LOCAL_CUTOFF-CCEOM", true]], "local_cutoff (cclambda)": [[1685, "term-LOCAL_CUTOFF-CCLAMBDA", true]], "local_cutoff (ccresponse)": [[1685, "term-LOCAL_CUTOFF-CCRESPONSE", true]], "local_do_singles (cceom)": [[1685, "term-LOCAL_DO_SINGLES-CCEOM", true]], "local_filter_singles (cceom)": [[1685, "term-LOCAL_FILTER_SINGLES-CCEOM", true]], "local_filter_singles (cclambda)": [[1685, "term-LOCAL_FILTER_SINGLES-CCLAMBDA", true]], "local_filter_singles (ccresponse)": [[1685, "term-LOCAL_FILTER_SINGLES-CCRESPONSE", true]], "local_ibo_condition (fisapt)": [[1685, "term-LOCAL_IBO_CONDITION-FISAPT", true]], "local_ibo_power (fisapt)": [[1685, "term-LOCAL_IBO_POWER-FISAPT", true]], "local_ibo_stars (fisapt)": [[1685, "term-LOCAL_IBO_STARS-FISAPT", true]], "local_ibo_stars_completeness (fisapt)": [[1685, "term-LOCAL_IBO_STARS_COMPLETENESS-FISAPT", true]], "local_ibo_use_stars (fisapt)": [[1685, "term-LOCAL_IBO_USE_STARS-FISAPT", true]], "local_maxiter (dlpno)": [[1685, "term-LOCAL_MAXITER-DLPNO", true]], "local_maxiter (fisapt)": [[1685, "term-LOCAL_MAXITER-FISAPT", true]], "local_maxiter (scf)": [[1685, "term-LOCAL_MAXITER-SCF", true]], "local_method (ccenergy)": [[1685, "term-LOCAL_METHOD-CCENERGY", true]], "local_method (cceom)": [[1685, "term-LOCAL_METHOD-CCEOM", true]], "local_method (cclambda)": [[1685, "term-LOCAL_METHOD-CCLAMBDA", true]], "local_method (ccresponse)": [[1685, "term-LOCAL_METHOD-CCRESPONSE", true]], "local_pairdef (ccenergy)": [[1685, "term-LOCAL_PAIRDEF-CCENERGY", true]], "local_pairdef (cclambda)": [[1685, "term-LOCAL_PAIRDEF-CCLAMBDA", true]], "local_pairdef (ccresponse)": [[1685, "term-LOCAL_PAIRDEF-CCRESPONSE", true]], 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"psi4.core.Functional.lsda_cutoff", false]], "lse (detci)": [[1685, "term-LSE-DETCI", true]], "lse_collapse (detci)": [[1685, "term-LSE_COLLAPSE-DETCI", true]], "lse_tolerance (detci)": [[1685, "term-LSE_TOLERANCE-DETCI", true]], "madmp2_sleep (dfmp2)": [[1685, "term-MADMP2_SLEEP-DFMP2", true]], "make_filename() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.make_filename", false]], "managedmethoderror": [[269, "psi4.driver.ManagedMethodError", false]], "mark_file_for_retention() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.mark_file_for_retention", false]], "mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.mass", false]], "mass_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.mass_number", false]], "mat2arr() (in module psi4.driver.p4util)": [[364, "psi4.driver.p4util.mat2arr", false]], "mat_num_column_print (globals)": [[1685, "term-MAT_NUM_COLUMN_PRINT-GLOBALS", true]], "math_root": [[1719, "envvar-MATH_ROOT", false]], 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true]], "max_force_g_convergence (optking)": [[1685, "term-MAX_FORCE_G_CONVERGENCE-OPTKING", true]], "max_function_per_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.max_function_per_shell", false]], "max_functions() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.max_functions", false]], "max_functions() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.max_functions", false]], "max_mem_buf (scf)": [[1685, "term-MAX_MEM_BUF-SCF", true]], "max_mograd_convergence (dfocc)": [[1685, "term-MAX_MOGRAD_CONVERGENCE-DFOCC", true]], "max_mograd_convergence (occ)": [[1685, "term-MAX_MOGRAD_CONVERGENCE-OCC", true]], "max_nbody (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.max_nbody", false]], "max_nprimitive() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.max_nprimitive", false]], "max_num_vecs (adc)": [[1685, "term-MAX_NUM_VECS-ADC", true]], "max_num_vecs (detci)": [[1685, "term-MAX_NUM_VECS-DETCI", true]], "max_points() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.max_points", false]], "max_points() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.max_points", false]], "max_points() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.max_points", false]], "max_radial_moment (globals)": [[1685, "term-MAX_RADIAL_MOMENT-GLOBALS", true]], "maximum() (psi4.driver.p4util.gaussian method)": [[323, "psi4.driver.p4util.Gaussian.maximum", false]], "maximum() (psi4.driver.p4util.lineshape method)": [[325, "psi4.driver.p4util.Lineshape.maximum", false]], "maximum() (psi4.driver.p4util.lorentzian method)": [[326, "psi4.driver.p4util.Lorentzian.maximum", false]], "maxiter (adc)": [[1685, "term-MAXITER-ADC", true]], "maxiter (ccenergy)": [[1685, "term-MAXITER-CCENERGY", true]], "maxiter (cceom)": [[1685, "term-MAXITER-CCEOM", true]], "maxiter (cclambda)": [[1685, "term-MAXITER-CCLAMBDA", true]], "maxiter (ccresponse)": [[1685, "term-MAXITER-CCRESPONSE", true]], "maxiter (dct)": [[1685, "term-MAXITER-DCT", true]], "maxiter (fisapt)": [[1685, "term-MAXITER-FISAPT", true]], "maxiter (fnocc)": [[1685, "term-MAXITER-FNOCC", true]], "maxiter (mcscf)": [[1685, "term-MAXITER-MCSCF", true]], "maxiter (pe)": [[1685, "term-MAXITER-PE", true]], "maxiter (psimrcc)": [[1685, "term-MAXITER-PSIMRCC", true]], "maxiter (sapt)": [[1685, "term-MAXITER-SAPT", true]], "maxiter (scf)": [[1685, "term-MAXITER-SCF", true]], "maxr() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.maxR", false]], "mayer indices": [[1757, "psivar-MAYER-INDICES", false]], "mbis": [[1780, "index-1", false]], "mbis charges": [[1757, "psivar-MBIS-CHARGES", false]], "mbis dipoles": [[1757, "psivar-MBIS-DIPOLES", false]], "mbis free atom n volume": [[1757, "psivar-MBIS-FREE-ATOM-n-VOLUME", false]], "mbis octupoles": [[1757, "psivar-MBIS-OCTUPOLES", false]], "mbis quadrupoles": [[1757, "psivar-MBIS-QUADRUPOLES", false]], "mbis radial moments <r^3>": [[1757, "psivar-MBIS-RADIAL-MOMENTS-R-3", false]], "mbis valence widths": [[1757, "psivar-MBIS-VALENCE-WIDTHS", false]], "mbis volume ratios": [[1757, "psivar-MBIS-VOLUME-RATIOS", false]], "mbis_d_convergence (globals)": [[1685, "term-MBIS_D_CONVERGENCE-GLOBALS", true]], "mbis_maxiter (globals)": [[1685, "term-MBIS_MAXITER-GLOBALS", true]], "mbis_pruning_scheme (globals)": [[1685, "term-MBIS_PRUNING_SCHEME-GLOBALS", true]], "mbis_radial_points (globals)": [[1685, "term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1685, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1770, "index-0", false], [1770, "index-1", false]], "mcscf total energy": [[1757, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[216, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1685, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1685, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type (detci)": [[1685, "term-MCSCF_DIIS_ERROR_TYPE-DETCI", true]], "mcscf_diis_freq (detci)": [[1685, "term-MCSCF_DIIS_FREQ-DETCI", true]], "mcscf_diis_max_vecs (detci)": [[1685, "term-MCSCF_DIIS_MAX_VECS-DETCI", true]], "mcscf_diis_start (detci)": [[1685, "term-MCSCF_DIIS_START-DETCI", true]], "mcscf_dpd_cleanup (detci)": [[1685, "term-MCSCF_DPD_CLEANUP-DETCI", true]], "mcscf_e_convergence (detci)": [[1685, "term-MCSCF_E_CONVERGENCE-DETCI", true]], "mcscf_guess (detci)": [[1685, "term-MCSCF_GUESS-DETCI", true]], "mcscf_max_rot (detci)": [[1685, "term-MCSCF_MAX_ROT-DETCI", true]], "mcscf_maxiter (detci)": [[1685, "term-MCSCF_MAXITER-DETCI", true]], "mcscf_object() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.mcscf_object", false]], "mcscf_r_convergence (detci)": [[1685, "term-MCSCF_R_CONVERGENCE-DETCI", true]], "mcscf_rotate (detci)": [[1685, "term-MCSCF_ROTATE-DETCI", true]], "mcscf_so_start_e (detci)": [[1685, "term-MCSCF_SO_START_E-DETCI", true]], "mcscf_so_start_grad (detci)": [[1685, "term-MCSCF_SO_START_GRAD-DETCI", true]], "mcscf_type (detci)": [[1685, "term-MCSCF_TYPE-DETCI", true]], "mdi_run() (in module psi4.driver)": [[313, "psi4.driver.mdi_run", false]], "memdfjk (class in psi4.core)": [[103, "psi4.core.MemDFJK", false]], "memory": [[1813, "index-1", false]], "memory_estimate() (psi4.core.jk method)": [[93, "psi4.core.JK.memory_estimate", false]], "message (psi4.driver.convergenceerror attribute)": [[267, "psi4.driver.ConvergenceError.message", false]], "message (psi4.driver.managedmethoderror attribute)": [[269, "psi4.driver.ManagedMethodError.message", false]], "message (psi4.driver.missingmethoderror attribute)": [[270, "psi4.driver.MissingMethodError.message", false]], "message (psi4.driver.optimizationconvergenceerror attribute)": [[271, "psi4.driver.OptimizationConvergenceError.message", false]], "message (psi4.driver.scfconvergenceerror attribute)": [[277, "psi4.driver.SCFConvergenceError.message", false]], "message (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.message", false]], "message (psi4.driver.testcomparisonerror attribute)": [[279, "psi4.driver.TestComparisonError.message", false]], "message (psi4.driver.validationerror attribute)": [[281, "psi4.driver.ValidationError.message", false]], "message_box() (in module psi4.driver)": [[314, "psi4.driver.message_box", false]], "message_box() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.message_box", false]], "meta_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.meta_cutoff", false]], "metadata (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.metadata", false]], "metameta (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.metameta", false]], "metameta (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.metameta", false]], "method (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.method", false]], "method (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.method", false]], "method (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.method", false]], "method (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.method", false]], "method alias": [[1815, "index-0", false]], "metric() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.metric", false]], "metric_inv() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.metric_inv", false]], "min_ccd_diisvecs (sapt)": [[1685, "term-MIN_CCD_DIISVECS-SAPT", true]], "minao_basis (fisapt)": [[1685, "term-MINAO_BASIS-FISAPT", true]], "minima": [[1783, "index-1", false]], "mintshelper (class in psi4.core)": [[104, "psi4.core.MintsHelper", false]], "mintshelper() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.mintshelper", false]], "mintshelper() (psi4.core.rhf method)": [[129, "psi4.core.RHF.mintshelper", false]], "mintshelper() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.mintshelper", false]], "mintshelper() (psi4.core.uhf method)": [[146, "psi4.core.UHF.mintshelper", false]], "mintshelper() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.mintshelper", false]], "missingmethoderror": [[270, "psi4.driver.MissingMethodError", false]], "mixed (detci)": [[1685, "term-MIXED-DETCI", true]], "mixed4 (detci)": [[1685, "term-MIXED4-DETCI", true]], "mk-mrcc": [[1810, "index-0", false]], "mkl_num_threads": [[1748, "envvar-MKL_NUM_THREADS", false], [1748, "index-8", false]], "mkl_root": [[1719, "envvar-MKL_ROOT", false]], "mo_diis_num_vecs (dfocc)": [[1685, "term-MO_DIIS_NUM_VECS-DFOCC", true]], "mo_elec_dip_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_elec_dip_deriv1", false]], "mo_erf_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_erf_eri", false]], "mo_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_eri", false]], "mo_extents() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.mo_extents", false]], "mo_f12() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_f12", false]], "mo_f12_double_commutator() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_f12_double_commutator", false]], "mo_f12_squared() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_f12_squared", false]], "mo_f12g12() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_f12g12", false]], "mo_maxiter (dfocc)": [[1685, "term-MO_MAXITER-DFOCC", true]], "mo_maxiter (occ)": [[1685, "term-MO_MAXITER-OCC", true]], "mo_oei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_oei_deriv1", false]], "mo_oei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_oei_deriv2", false]], "mo_overlap_half_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_overlap_half_deriv1", false]], "mo_read (mcscf)": [[1685, "term-MO_READ-MCSCF", true]], "mo_read (occ)": [[1685, "term-MO_READ-OCC", true]], "mo_spin_eri() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_spin_eri", false]], "mo_step_max (dfocc)": [[1685, "term-MO_STEP_MAX-DFOCC", true]], "mo_step_max (occ)": [[1685, "term-MO_STEP_MAX-OCC", true]], "mo_tei_deriv1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_tei_deriv1", false]], "mo_tei_deriv2() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_tei_deriv2", false]], "mo_transform() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.mo_transform", false]], "mo_write (occ)": [[1685, "term-MO_WRITE-OCC", true]], "module": [[1753, "module-psi4.driver.qcdb.vib", false], [1808, "module-psi4.core", false], [1808, "module-psi4.driver", false], [1808, "module-psi4.driver.p4util", false]], "module (cphf)": [[1685, "term-MODULE-CPHF", true]], "module() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.module", false]], "mofa() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFa", false]], "mofb() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFb", false]], "mofeff() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.moFeff", false]], "mograd_damping (occ)": [[1685, "term-MOGRAD_DAMPING-OCC", true]], "molden": [[1772, "index-0", false]], "molden() (in module psi4.driver)": [[315, "psi4.driver.molden", false]], "molden_with_virtual (globals)": [[1685, "term-MOLDEN_WITH_VIRTUAL-GLOBALS", true]], "molden_write (dfocc)": [[1685, "term-MOLDEN_WRITE-DFOCC", true]], "molden_write (scf)": [[1685, "term-MOLDEN_WRITE-SCF", true]], "moldenwriter (class in psi4.core)": [[105, "psi4.core.MoldenWriter", false]], "molecular_charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.molecular_charge", false]], "moleculargrid (class in psi4.core)": [[106, "psi4.core.MolecularGrid", false]], "molecule": [[1763, "index-4", false], [1814, "index-0", false], [1814, "index-1", false], [1814, "index-2", false], [1814, "index-3", false], [1814, "index-4", false], [1814, "index-5", false], [1814, "index-7", false]], "molecule (class in psi4.core)": [[107, "psi4.core.Molecule", false]], "molecule (class in psi4.driver.qcdb)": [[1749, "psi4.driver.qcdb.Molecule", false]], "molecule (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.molecule", false]], "molecule (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.molecule", false]], "molecule (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.molecule", false]], "molecule (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.molecule", false]], "molecule specification": [[1763, "index-4", false]], "molecule() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.molecule", false]], "molecule() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.molecule", false]], "molecule() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.molecule", false]], "molecule_get_attr() (in module psi4.driver)": [[316, "psi4.driver.molecule_get_attr", false]], "molecule_set_attr() (in module psi4.driver)": [[317, "psi4.driver.molecule_set_attr", false]], "mom": [[1819, "index-2", false]], "mom_excited_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.MOM_excited_", false]], "mom_occ (scf)": [[1685, "term-MOM_OCC-SCF", true]], "mom_performed_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.MOM_performed_", false]], "mom_start (scf)": [[1685, "term-MOM_START-SCF", true]], "mom_vir (scf)": [[1685, "term-MOM_VIR-SCF", true]], "montage": [[1731, "envvar-MONTAGE", false], [1731, "index-2", false]], "mospace (class in psi4.core)": [[99, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[100, "psi4.core.MOWriter", false]], "mp2": [[1737, "index-0", false]], "mp2 alpha-alpha pair energies": [[1757, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1757, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1757, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1757, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1757, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1757, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1757, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1757, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1757, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1757, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1757, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1757, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1757, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1757, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1757, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1757, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1757, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1757, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1757, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1757, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1685, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1685, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1685, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1685, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1685, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1685, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1685, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1685, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1685, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1685, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1685, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1685, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1685, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1685, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1685, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1685, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1685, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1685, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1685, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1757, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1757, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1757, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1757, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1757, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1757, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1752, "index-1", false]], "mp4 correlation energy": [[1757, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1757, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1757, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1757, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1757, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1757, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1757, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1685, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1685, "term-MPN-DETCI", true]], "mpn correlation energy": [[1757, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1757, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1685, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1685, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1685, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1773, "index-0", false]], "mrcc total energy": [[1757, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[217, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1685, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[218, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1685, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1685, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1685, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1685, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1685, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1685, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1757, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1685, "term-MS0-DETCI", true]], "mtd 128-pole": [[1757, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1757, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1757, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1757, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1757, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1757, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1757, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1757, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1770, "index-2", false]], "multiple fragments": [[1814, "index-7", false]], "multiple in input file": [[1814, "index-1", false]], "multiple within molecule": [[1711, "index-1", false]], "multiplicity": [[1814, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[108, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[109, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1810, "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)": [[110, "psi4.core.NablaInt", false]], "nallatom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nallatom", false]], "nalpha() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nalpha", false]], "nalphapi() (psi4.core.wavefunction method)": [[151, "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)": [[80, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[84, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[89, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[136, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[149, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, 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[[1685, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1757, "psivar-NAUX-CC", false]], "naux (scf)": [[1757, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[148, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1757, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1757, "psivar-NBODY-NUMBER", false]], "nbody() (in 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"term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[330, "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)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.nfragments", false]], "nfrzc() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nfrzc", false]], "nfunction (psi4.core.gaussianshell attribute)": [[82, "psi4.core.GaussianShell.nfunction", false]], "ngamma() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.ngamma", false]], "nil() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.nil", false]], "nirrep() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.nirrep", false]], "nirrep() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.nirrep", false]], "nirrep() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.nirrep", false]], "nirrep() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.nirrep", false]], "nirrep() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.nirrep", false]], "nirrep() (psi4.core.vector method)": [[149, "psi4.core.Vector.nirrep", false]], "nirrep() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nirrep", false]], "nl_dispersion_parameters (scf)": [[1685, "term-NL_DISPERSION_PARAMETERS-SCF", true]], "nmo() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nmo", false]], "nmopi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.nmopi", false]], "no_dfile (detci)": [[1685, "term-NO_DFILE-DETCI", true]], "no_occupations() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.no_occupations", false]], "no_reorient": [[1814, "index-2", false]], "no_singles (psimrcc)": [[1685, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1775, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1685, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[150, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[149, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[101, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[149, "psi4.core.Vector.np_read", false]], "np_write() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.np_write", false]], "np_write() (psi4.core.vector method)": [[149, "psi4.core.Vector.np_write", false]], "nph (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.nph", false]], "nph (psi4.core.vector attribute)": [[149, "psi4.core.Vector.nph", false]], "npoints() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.npoints", false]], "npoints() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.npoints", false]], "nprimitive (psi4.core.gaussianshell attribute)": [[82, "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)": [[151, 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true]], "num_amps_print (ccresponse)": [[1685, "term-NUM_AMPS_PRINT-CCRESPONSE", true]], "num_amps_print (detci)": [[1685, "term-NUM_AMPS_PRINT-DETCI", true]], "num_core_orbitals (adc)": [[1685, "term-NUM_CORE_ORBITALS-ADC", true]], "num_dets_print (detci)": [[1685, "term-NUM_DETS_PRINT-DETCI", true]], "num_frozen_docc (globals)": [[1685, "term-NUM_FROZEN_DOCC-GLOBALS", true]], "num_frozen_uocc (globals)": [[1685, "term-NUM_FROZEN_UOCC-GLOBALS", true]], "num_guesses (adc)": [[1685, "term-NUM_GUESSES-ADC", true]], "num_init_vecs (detci)": [[1685, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1685, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[111, "psi4.core.NumIntHelper", false]], "numpy": [[1778, "index-0", false]], "occ() (in module psi4.core)": [[219, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[99, "psi4.core.MOSpace.occ", false]], "occ_orbs_print (dfocc)": [[1685, "term-OCC_ORBS_PRINT-DFOCC", true]], "occ_orbs_print (occ)": [[1685, "term-OCC_ORBS_PRINT-OCC", true]], "occ_percentage (fnocc)": [[1685, "term-OCC_PERCENTAGE-FNOCC", true]], "occ_tolerance (fnocc)": [[1685, "term-OCC_TOLERANCE-FNOCC", true]], "occ_tolerance (sapt)": [[1685, "term-OCC_TOLERANCE-SAPT", true]], "occupation_a() (psi4.core.hf method)": [[85, "psi4.core.HF.occupation_a", false]], "occupation_b() (psi4.core.hf method)": [[85, "psi4.core.HF.occupation_b", false]], "ocepa(0) correlation energy": [[1757, "psivar-OCEPA-0-CORRELATION-ENERGY", false]], "ocepa(0) total energy": [[1757, "psivar-OCEPA-0-TOTAL-ENERGY", false]], "odc_guess (dct)": [[1685, "term-ODC_GUESS-DCT", true]], "oeprop": [[1780, "index-0", false]], "oeprop (class in psi4.core)": [[112, "psi4.core.OEProp", false]], "oeprop (dfocc)": [[1685, "term-OEPROP-DFOCC", true]], "oeprop (occ)": [[1685, "term-OEPROP-OCC", true]], "oeprop() (in module psi4.driver)": [[318, "psi4.driver.oeprop", false]], "oeprop() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.oeprop", false]], "offdiagonal_ccsd_t (psimrcc)": [[1685, "term-OFFDIAGONAL_CCSD_T-PSIMRCC", true]], "olccd": [[1779, "index-1", false], [1779, "index-5", false]], "olccd correlation energy": [[1757, "psivar-OLCCD-CORRELATION-ENERGY", false]], "olccd doubles energy": [[1757, "psivar-OLCCD-DOUBLES-ENERGY", false]], "olccd opposite-spin correlation energy": [[1757, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "olccd reference correction energy": [[1757, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", false]], "olccd same-spin correlation energy": [[1757, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "olccd singles energy": [[1757, "psivar-OLCCD-SINGLES-ENERGY", false]], "olccd total energy": [[1757, "psivar-OLCCD-TOTAL-ENERGY", false]], "omega (ccresponse)": [[1685, "term-OMEGA-CCRESPONSE", true]], "omega() (psi4.core.functional method)": [[81, 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false], [1225, "index-0", false], [1241, "index-0", false], [1685, "index-0", false], [1685, "index-1", false], [1724, "index-9", false], [1748, "envvar-OMP_NUM_THREADS", false], [1748, "index-14", false], [1748, "index-7", false]], "one-electron energy": [[1757, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[113, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[114, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1685, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1685, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1685, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1685, "term-OPDM-DCT", true]], "opdm (detci)": [[1685, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, 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"psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[271, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1781, "index-0", false]], "optimize() (in module psi4.driver)": [[320, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[321, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[220, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[115, "psi4.core.Options", false]], "options() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.options", false]], "options_to_python() (in module psi4.core)": [[221, "psi4.core.options_to_python", false]], "optionsstate (class in psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsState", false]], "optionsstatecm() (in module psi4.driver.p4util)": [[329, "psi4.driver.p4util.OptionsStateCM", false]], "optionstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionState", false]], "orb_opt (dfocc)": [[1685, "term-ORB_OPT-DFOCC", true]], "orb_opt (occ)": [[1685, "term-ORB_OPT-OCC", true]], "orb_resp_solver (dfocc)": [[1685, "term-ORB_RESP_SOLVER-DFOCC", true]], "orb_resp_solver (occ)": [[1685, "term-ORB_RESP_SOLVER-OCC", true]], "orbital-optimized methods": [[1779, "index-1", false]], "orbital-optimized methods, olccd": [[1779, "index-0", false]], "orbital-optimized methods, omp2": [[1779, "index-0", false]], "orbital-optimized methods, omp2.5": [[1779, "index-0", false]], "orbital-optimized methods, omp3": [[1779, "index-0", false]], "orbital_level_shift (dct)": [[1685, "term-ORBITAL_LEVEL_SHIFT-DCT", true]], "orbital_values() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.orbital_values", false]], "orbitals_write (scf)": [[1685, "term-ORBITALS_WRITE-SCF", true]], "orbitalspace (class in psi4.core)": [[116, "psi4.core.OrbitalSpace", false]], "order() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.order", false]], "order() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.order", false]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[268, "psi4.driver.EmpiricalDispersion.ordered_params", false]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1740, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params", false]], "oremp": [[1779, "index-6", false]], "oremp2 correlation energy": [[1757, "psivar-OREMP2-CORRELATION-ENERGY", false]], "oremp2 doubles energy": [[1757, "psivar-OREMP2-DOUBLES-ENERGY", false]], "oremp2 opposite-spin correlation energy": [[1757, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "oremp2 reference correction energy": [[1757, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", false]], "oremp2 same-spin correlation energy": [[1757, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "oremp2 singles energy": [[1757, "psivar-OREMP2-SINGLES-ENERGY", false]], "oremp2 total energy": [[1757, "psivar-OREMP2-TOTAL-ENERGY", false]], "orientation() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.orientation", false]], "orientation_fixed() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.orientation_fixed", false]], "origin (psi4.core.onebodyaoint attribute)": [[113, "psi4.core.OneBodyAOInt.origin", false]], "original_coef() (psi4.core.gaussianshell method)": [[82, "psi4.core.GaussianShell.original_coef", false]], "orth_type (dfocc)": [[1685, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1685, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1685, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[222, "psi4.core.outfile_name", false]], "output": [[1721, "index-2", false], [1733, "index-3", false], [1783, "index-4", false], [1818, "index-5", false], [1824, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.overlap", false]], "overlap_3c() 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[[272, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[273, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [107, "index-0", false], [1719, "index-1", false], [1719, "index-10", false], [1719, "index-11", false], [1719, "index-12", false], [1719, "index-13", false], [1719, "index-14", false], [1719, "index-15", false], [1719, "index-16", false], [1719, "index-17", false], [1719, "index-18", false], [1719, "index-19", false], [1719, "index-24", false], [1719, "index-25", false], [1719, "index-26", false], [1719, "index-5", false], [1719, "index-7", false], [1724, "index-1", false], [1724, "index-3", false], [1724, "index-5", false], [1724, "index-7", false], [1729, "index-0", false], [1729, "index-3", false], [1729, "index-5", false], [1729, "index-6", false], [1729, "index-7", false], [1740, "index-1", false], [1748, "envvar-PATH", false], [1748, "index-17", false], [1748, "index-18", false], [1755, "index-1", false], [1755, "index-2", false], [1773, "index-1", false]], "pbs queueing system": [[1748, "index-9", false]], "pcg_beta_type (dfocc)": [[1685, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1685, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1685, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1685, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1685, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1685, "term-PCG_MAXITER-OCC", true]], "pcm": [[1735, "index-0", false], [1784, "index-0", false], [1784, "index-1", false]], "pcm (globals)": [[1685, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1757, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1685, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() 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"psi4.core.MintsHelper.perturb_grad", false]], "perturb_h (scf)": [[1685, "term-PERTURB_H-SCF", true]], "perturb_magnitude (detci)": [[1685, "term-PERTURB_MAGNITUDE-DETCI", true]], "perturb_magnitude (scf)": [[1685, "term-PERTURB_MAGNITUDE-SCF", true]], "perturb_with (scf)": [[1685, "term-PERTURB_WITH-SCF", true]], "petite_list() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.petite_list", false]], "petite_list() (psi4.core.sobasisset method)": [[133, "psi4.core.SOBasisSet.petite_list", false]], "petite_list1() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.petite_list1", false]], "petitelist (class in psi4.core)": [[119, "psi4.core.PetiteList", false]], "phi_points (scf)": [[1685, "term-PHI_POINTS-SCF", true]], "physconst": [[1687, "index-0", false]], "physical constants": [[1813, "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)": [[1685, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1685, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[266, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1749, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.play", false]], "plugin": [[1788, "index-0", false]], "plugin() (in module psi4.core)": [[223, "psi4.core.plugin", false]], "plugin_close() (in module psi4.core)": [[224, "psi4.core.plugin_close", false]], "plugin_close_all() (in module psi4.core)": [[225, "psi4.core.plugin_close_all", false]], "plugin_load() (in module psi4.core)": [[226, "psi4.core.plugin_load", false]], "plump_qcvar() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.plump_qcvar", false]], "pmlocalizer (class in psi4.core)": [[118, "psi4.core.PMLocalizer", false]], "pno_convergence (dlpno)": [[1685, "term-PNO_CONVERGENCE-DLPNO", true]], "point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.point_group", false]], "point_values() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.point_values", false]], "pointfunctions (class in psi4.core)": [[120, "psi4.core.PointFunctions", false]], "pointgroup (class in psi4.core)": [[121, "psi4.core.PointGroup", false]], "points (findif)": [[1685, "term-POINTS-FINDIF", true]], "pop() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.pop", false]], "populateextern() (psi4.driver.qmmmbohr method)": [[276, "psi4.driver.QMMMbohr.populateExtern", false]], "position_camera() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.position_camera", false]], "potential_grad() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.potential_grad", false]], "potential_integral() (psi4.core.numinthelper method)": [[111, "psi4.core.NumIntHelper.potential_integral", false]], "potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.potential_variable", false]], "potential_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.potential_variables", false]], "potentialint (class in psi4.core)": [[122, "psi4.core.PotentialInt", false]], "potfile (pe)": [[1685, "term-POTFILE-PE", true]], "power() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.power", false]], "ppl_type (dfocc)": [[1685, "term-PPL_TYPE-DFOCC", true]], "precondition() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.precondition", false]], "preconditioner (detci)": [[1685, "term-PRECONDITIONER-DETCI", true]], "prefactor_ecd() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_ecd", false]], "prefactor_opa() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prefactor_opa", false]], "prepare_options_for_module() (in module psi4.core)": [[227, "psi4.core.prepare_options_for_module", false]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_modules", false]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[372, "psi4.driver.p4util.prepare_options_for_set_options", false]], "prepare_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.prepare_results", false]], "prerequisites": [[1719, "index-0", false]], "presort_so_tei() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.presort_so_tei", false]], "primitivetype (class in psi4.core)": [[123, "psi4.core.PrimitiveType", false]], "print (cphf)": [[1685, "term-PRINT-CPHF", true]], "print (efp)": [[1685, "term-PRINT-EFP", true]], "print (globals)": [[1685, "term-PRINT-GLOBALS", true]], "print (sapt)": [[1685, "term-PRINT-SAPT", true]], "print() (psi4.core.moleculargrid method)": [[106, "psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1685, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.print_density_threshold", false]], "print_detail() (psi4.core.functional method)": [[81, "psi4.core.Functional.print_detail", false]], "print_detail() (psi4.core.superfunctional method)": [[139, "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)": [[107, "psi4.core.Molecule.print_distances", false]], "print_dpd_lookup() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.print_dpd_lookup", false]], "print_energies() (psi4.core.hf method)": [[85, "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)": [[228, "psi4.core.print_global_options", false]], "print_global_options() (psi4.core.options method)": [[115, "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)": [[77, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[85, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[93, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[148, "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)": [[107, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[115, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[389, "psi4.driver.qcdb.vib.print_molden_vibs", false]], "print_mos (scf)": [[1685, "term-PRINT_MOS-SCF", true]], "print_noons (globals)": [[1685, "term-PRINT_NOONS-GLOBALS", true]], "print_opt_params (optking)": [[1685, "term-PRINT_OPT_PARAMS-OPTKING", true]], "print_options() (in module psi4.core)": [[229, "psi4.core.print_options", false]], "print_orbitals() (psi4.core.hf method)": [[85, "psi4.core.HF.print_orbitals", false]], "print_out() (in module psi4.core)": [[230, "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)": [[74, "psi4.core.ExternalPotential.print_out", false]], "print_out() (psi4.core.functional method)": [[81, "psi4.core.Functional.print_out", false]], "print_out() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.print_out", false]], "print_out() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.print_out", false]], "print_out() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.print_out", false]], "print_out() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out", false]], "print_out() (psi4.core.orbitalspace method)": [[116, "psi4.core.OrbitalSpace.print_out", false]], "print_out() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.print_out", false]], "print_out() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.print_out", false]], "print_out() (psi4.core.vector method)": [[149, "psi4.core.Vector.print_out", false]], "print_out() (psi4.driver.empiricaldispersion method)": [[268, "psi4.driver.EmpiricalDispersion.print_out", false]], "print_out_in_angstrom() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_in_angstrom", false]], "print_out_in_bohr() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_in_bohr", false]], "print_out_of_planes() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_out_of_planes", false]], "print_preiterations() (psi4.core.hf method)": [[85, "psi4.core.HF.print_preiterations", false]], "print_rotational_constants() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.print_rotational_constants", false]], "print_stability_analysis() (psi4.core.hf method)": [[85, "psi4.core.HF.print_stability_analysis", false]], "print_tensor_pqq() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.print_tensor_pqQ", false]], "print_trailer() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.print_trailer", false]], "print_trajectory_xyz_file (optking)": [[1685, "term-PRINT_TRAJECTORY_XYZ_FILE-OPTKING", true]], "print_variables() (in module psi4.core)": [[231, "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)": [[390, "psi4.driver.qcdb.vib.print_vibs", false]], "priority (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.priority", false]], "process_grid (scf)": [[1685, "term-PROCESS_GRID-SCF", true]], "process_input() (in module psi4.driver)": [[381, "psi4.driver.process_input", false]], "process_input() (in module psi4.driver.inputparser)": [[1749, "psi4.driver.inputparser.process_input", false]], "project_densities() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.project_densities", false]], "prop (class in psi4.core)": [[124, "psi4.core.Prop", false]], "prop()": 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(ccenergy)": [[1685, "term-PROPERTY-CCENERGY", true]], "property (ccresponse)": [[1685, "term-PROPERTY-CCRESPONSE", true]], "protocols (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.protocols", false]], "protointvector (class in psi4.core)": [[125, "psi4.core.ProtoIntVector", false]], "protovector (class in psi4.core)": [[126, "psi4.core.ProtoVector", false]], "provenance() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.provenance", false]], "provenance_stamp() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.provenance_stamp", false]], "pseudoinverse() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.pseudoinverse", false]], "psi4 command line option": [[1748, "cmdoption-psi4-V", false], [1748, "cmdoption-psi4-a", false], [1748, "cmdoption-psi4-h", false], [1748, "cmdoption-psi4-i", false], [1748, "cmdoption-psi4-inplace", false], [1748, "cmdoption-psi4-k", false], [1748, "cmdoption-psi4-l", false], [1748, "cmdoption-psi4-loglevel", false], [1748, "cmdoption-psi4-m", false], [1748, "cmdoption-psi4-memory", false], [1748, "cmdoption-psi4-module", false], [1748, "cmdoption-psi4-n", false], [1748, "cmdoption-psi4-o", false], [1748, "cmdoption-psi4-psiapi-path", false], [1748, "cmdoption-psi4-qcschema", false], [1748, "cmdoption-psi4-s", false], [1748, "cmdoption-psi4-t", false], [1748, "cmdoption-psi4-v", false]], "psi4.core": [[1808, "module-psi4.core", false]], "psi4.driver": [[1808, "module-psi4.driver", false]], "psi4.driver.p4util": [[1808, "module-psi4.driver.p4util", false]], "psi4.driver.qcdb.vib": [[1753, "module-psi4.driver.qcdb.vib", false]], "psi4fockci": [[1786, "index-0", false]], "psi4rc": [[1748, "index-4", false]], "psi_scratch": [[1719, "index-27", false], [1729, "index-1", false], [1729, "index-2", false], [1729, "index-4", false], [1729, "index-8", false], [1748, "envvar-PSI_SCRATCH", false], [1748, "index-1", false], [1748, "index-12", false], [1748, "index-15", false], [1748, "index-19", false], [1748, "index-2", false], [1748, "index-3", false], [1748, "index-5", false]], "psi_top_srcdir() (in module psi4.core)": [[232, "psi4.core.psi_top_srcdir", false]], "psiclean() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.psiclean", false]], "psidatadir": [[195, "index-0", false], [246, "index-0", false], [1719, "index-3", false], [1719, "index-8", false], [1719, "index-9", false], [1748, "envvar-PSIDATADIR", false], [1748, "index-10", false], [1748, "index-13", false], [1748, "index-8", false], [1808, "index-2", false], [1808, "index-3", false]], "psiexception": [[274, "psi4.driver.PsiException", false]], "psimrcc() (in module psi4.core)": [[233, "psi4.core.psimrcc", false]], "psio_entry (class in psi4.core)": [[234, "psi4.core.psio_entry", false]], "psioh": [[1689, "index-0", false]], "psipath": [[107, "index-1", false], [1711, "index-4", false], [1711, "index-5", false], [1724, "index-2", false], [1724, "index-4", false], [1724, "index-6", false], [1724, "index-8", false], [1748, "envvar-PSIPATH", false], [1748, "index-11", false], [1748, "index-16", false], [1748, "index-20", false], [1748, "index-21", false], [1748, "index-22", false], [1748, "index-23", false], [1755, "index-3", false], [1763, "index-2", false], [1763, "index-3", false], [1789, "index-1", false], [1816, "index-1", false]], "psirc": [[1748, "index-4", false]], "psireturntype (class in psi4.core)": [[127, "psi4.core.PsiReturnType", false]], "pt_energy (psimrcc)": [[1685, "term-PT_ENERGY-PSIMRCC", true]], "pubchem": [[1814, "index-5", false]], "pure (psi4.core.gaussiantype attribute)": [[83, "psi4.core.GaussianType.Pure", false]], "puream (globals)": [[1685, "term-PUREAM-GLOBALS", true]], "push_back_external_potential() (psi4.core.hf method)": [[85, "psi4.core.HF.push_back_external_potential", false]], "pythonpath": [[2, "index-0", false], [1719, "index-2", false], [1719, "index-4", false], [1719, "index-6", false], [1733, "index-1", false], [1733, "index-2", false], [1740, "index-2", false], [1748, "envvar-PYTHONPATH", false], [1748, "index-24", false], [1787, "index-1", false], [1788, "index-1", false], [1788, "index-2", false], [1789, "index-0", false]], "q (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.q", false]], "qc_coupling (dct)": [[1685, "term-QC_COUPLING-DCT", true]], "qc_module (globals)": [[1685, "term-QC_MODULE-GLOBALS", true]], "qc_type (dct)": [[1685, "term-QC_TYPE-DCT", true]], "qchf (dfocc)": [[1685, "term-QCHF-DFOCC", true]], "qchf (scf)": [[1685, "term-QCHF-SCF", true]], "qcisd correlation energy": [[1757, "psivar-QCISD-CORRELATION-ENERGY", false]], "qcisd doubles energy": [[1757, "psivar-QCISD-DOUBLES-ENERGY", false]], "qcisd opposite-spin correlation energy": [[1757, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "qcisd same-spin correlation energy": [[1757, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", false]], "qcisd singles energy": [[1757, "psivar-QCISD-SINGLES-ENERGY", false]], "qcisd total energy": [[1757, "psivar-QCISD-TOTAL-ENERGY", false]], "qcisd(t)": [[1752, "index-1", false]], "qcisd(t) correction energy": [[1757, "psivar-QCISD-T-CORRECTION-ENERGY", false]], "qcisd(t) correlation energy": [[1757, "psivar-QCISD-T-CORRELATION-ENERGY", false]], "qcisd(t) total energy": [[1757, "psivar-QCISD-T-TOTAL-ENERGY", false]], "qmefp (efp)": [[1685, "term-QMEFP-EFP", true]], "qmmm (class in psi4.driver)": [[275, "psi4.driver.QMMM", false]], "qmmmbohr (class in psi4.driver)": [[276, "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)": [[148, "psi4.core.VBase.quadrature_values", false]], "quadrupoleint (class in psi4.core)": [[128, "psi4.core.QuadrupoleInt", false]], "query_libxc() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.query_libxc", false]], "quiet (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "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)": [[1685, "term-R4S-DETCI", true]], "r_a() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.R_A", false]], "r_b() (psi4.core.fdds_dispersion method)": [[76, "psi4.core.FDDS_Dispersion.R_B", false]], "r_convergence (adc)": [[1685, "term-R_CONVERGENCE-ADC", true]], "r_convergence (ccenergy)": [[1685, "term-R_CONVERGENCE-CCENERGY", true]], "r_convergence (cceom)": [[1685, "term-R_CONVERGENCE-CCEOM", true]], "r_convergence (cclambda)": [[1685, "term-R_CONVERGENCE-CCLAMBDA", true]], "r_convergence (ccresponse)": [[1685, "term-R_CONVERGENCE-CCRESPONSE", true]], "r_convergence (dct)": [[1685, "term-R_CONVERGENCE-DCT", true]], "r_convergence (detci)": [[1685, "term-R_CONVERGENCE-DETCI", true]], "r_convergence (dfocc)": [[1685, "term-R_CONVERGENCE-DFOCC", true]], "r_convergence (dlpno)": [[1685, "term-R_CONVERGENCE-DLPNO", true]], "r_convergence (fnocc)": [[1685, "term-R_CONVERGENCE-FNOCC", true]], "r_convergence (occ)": [[1685, "term-R_CONVERGENCE-OCC", true]], "r_convergence (psimrcc)": [[1685, "term-R_CONVERGENCE-PSIMRCC", true]], "r_points (scf)": [[1685, "term-R_POINTS-SCF", true]], "radial_scale (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.radial_scale", false]], "radii (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.radii", false]], "radius (scf)": [[1685, "term-RADIUS-SCF", true]], "random phase approximation": [[1822, "index-0", false]], "ranged_bend (optking)": [[1685, "term-RANGED_BEND-OPTKING", true]], "ranged_dihedral (optking)": [[1685, "term-RANGED_DIHEDRAL-OPTKING", true]], "ranged_distance (optking)": [[1685, "term-RANGED_DISTANCE-OPTKING", true]], "ranged_oofp (optking)": [[1685, "term-RANGED_OOFP-OPTKING", true]], "ras1 (globals)": [[1685, "term-RAS1-GLOBALS", true]], "ras2 (globals)": [[1685, "term-RAS2-GLOBALS", true]], "ras3 (globals)": [[1685, "term-RAS3-GLOBALS", true]], "ras34_max (detci)": [[1685, "term-RAS34_MAX-DETCI", true]], "ras3_max (detci)": [[1685, "term-RAS3_MAX-DETCI", true]], "ras4 (globals)": [[1685, "term-RAS4-GLOBALS", true]], "ras4_max (detci)": [[1685, "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)": [[77, "psi4.core.FISAPT.raw_plot", false]], "read() (psi4.core.civector method)": [[12, "psi4.core.CIVector.read", false]], "read_globals() (psi4.core.options method)": [[115, "psi4.core.Options.read_globals", false]], "read_scf_3index (dfocc)": [[1685, "term-READ_SCF_3INDEX-DFOCC", true]], "real (psi4.core.fragmenttype attribute)": [[80, "psi4.core.FragmentType.Real", false]], "reference (adc)": [[1685, "term-REFERENCE-ADC", true]], "reference (ccdensity)": [[1685, "term-REFERENCE-CCDENSITY", true]], "reference (ccenergy)": [[1685, "term-REFERENCE-CCENERGY", true]], "reference (cceom)": [[1685, "term-REFERENCE-CCEOM", true]], "reference (ccresponse)": [[1685, "term-REFERENCE-CCRESPONSE", true]], "reference (cctransort)": [[1685, "term-REFERENCE-CCTRANSORT", true]], "reference (cctriples)": [[1685, "term-REFERENCE-CCTRIPLES", true]], "reference (dct)": [[1685, "term-REFERENCE-DCT", true]], "reference (detci)": [[1685, "term-REFERENCE-DETCI", true]], "reference (mcscf)": [[1685, "term-REFERENCE-MCSCF", true]], "reference (scf)": [[1685, "term-REFERENCE-SCF", true]], "reference_sym (detci)": [[1685, "term-REFERENCE_SYM-DETCI", true]], "reference_wavefunction() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.reference_wavefunction", false]], "refresh() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.refresh", false]], "reg_param (dfocc)": [[1685, "term-REG_PARAM-DFOCC", true]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.register_composite_function", false]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.register_xtpl_function", false]], "regularization (dfocc)": [[1685, "term-REGULARIZATION-DFOCC", true]], "rehash() (psi4.core.io method)": [[87, "psi4.core.IO.rehash", false]], "reinterpret_coordentry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.reinterpret_coordentry", false]], "relativistic": [[1817, "index-0", false]], "relativistic (globals)": [[1685, "term-RELATIVISTIC-GLOBALS", true]], "relax_guess_orbitals (dct)": [[1685, "term-RELAX_GUESS_ORBITALS-DCT", true]], "relaxed (occ)": [[1685, "term-RELAXED-OCC", true]], "remove() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.remove", false]], "remove_symmetry() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.remove_symmetry", false]], "remp2 correlation energy": [[1757, "psivar-REMP2-CORRELATION-ENERGY", false]], "remp2 doubles energy": [[1757, "psivar-REMP2-DOUBLES-ENERGY", false]], "remp2 opposite-spin correlation energy": [[1757, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "remp2 same-spin correlation energy": [[1757, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "remp2 singles energy": [[1757, "psivar-REMP2-SINGLES-ENERGY", false]], "remp2 total energy": [[1757, "psivar-REMP2-TOTAL-ENERGY", false]], "remp_a (dfocc)": [[1685, "term-REMP_A-DFOCC", true]], "remp_a (occ)": [[1685, "term-REMP_A-OCC", true]], "reopen_outfile() (in module psi4.core)": [[235, "psi4.core.reopen_outfile", false]], "repl_otf (detci)": [[1685, "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)": [[85, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[85, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[330, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1685, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1748, "index-0", false]], "restart (ccenergy)": [[1685, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1685, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1685, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1685, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1685, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[328, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[327, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1685, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1685, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[237, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1685, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1685, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1685, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[129, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1685, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[130, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1685, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1685, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1685, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1685, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[131, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1685, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1685, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1685, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1685, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[101, "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)": [[1685, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1685, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1685, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1685, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[85, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1685, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[184, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[185, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.rows", false]], "rpa": [[1822, "index-0", false]], "rsrfo_alpha_max (optking)": [[1685, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1685, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1685, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1685, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1724, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1740, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1740, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1755, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1685, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1685, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1685, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1685, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[151, "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)": [[1685, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1685, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1685, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1685, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[85, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1685, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1685, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1685, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1685, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1685, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1685, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1685, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1685, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[132, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[135, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[392, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[393, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1685, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1818, "index-0", false], [1818, "index-1", false], [1818, "index-2", false], [1818, "index-3", false], [1818, "index-4", false], [1818, "index-5", false]], "sapt (scf)": [[1685, "term-SAPT-SCF", true]], "sapt alpha": [[1757, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1757, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1757, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1757, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1757, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1757, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1757, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1757, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1757, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1757, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1757, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1757, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1757, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1757, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1757, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1757, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1757, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1757, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1757, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1757, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1757, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1757, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1757, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1757, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1757, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1757, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1757, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1757, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1757, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1757, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1757, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1757, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1757, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1757, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1757, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1757, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1757, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1757, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1757, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1757, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1757, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1757, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1757, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1757, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1757, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1757, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1757, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1757, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1757, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[238, "psi4.core.sapt", false]], "sapt(dft)": [[1818, "index-2", false]], "sapt0": [[1818, "index-1", false]], "sapt0 disp energy": [[1757, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1757, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1757, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1757, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1757, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1685, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1685, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1685, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1757, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1757, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1757, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1757, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1757, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1757, "psivar-1", false]], "sapt2+ elst energy": [[1757, "psivar-2", false]], "sapt2+ exch energy": [[1757, "psivar-3", false]], "sapt2+ ind energy": [[1757, "psivar-4", false]], "sapt2+ total energy": [[1757, "psivar-9", false]], "sapt2+(3) disp energy": [[1757, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1757, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1757, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1757, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1757, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1757, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1757, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1757, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1757, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1757, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1757, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1757, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1757, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1757, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1757, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1757, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1757, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1757, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1757, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1757, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1757, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1757, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1757, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1757, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1757, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1757, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1757, "psivar-5", false]], "sapt2+3 elst energy": [[1757, "psivar-6", false]], "sapt2+3 exch energy": [[1757, "psivar-7", false]], "sapt2+3 ind energy": [[1757, "psivar-8", false]], "sapt2+3 total energy": [[1757, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1757, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1757, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1757, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1757, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1757, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1757, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1757, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1757, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1757, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1757, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1757, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1757, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1757, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1757, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1757, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1757, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1757, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1757, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1757, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1757, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1685, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1685, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1685, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1685, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1685, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1685, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1685, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1685, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1685, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1685, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1685, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1685, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1685, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1685, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1685, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1685, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1685, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[149, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[85, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1685, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1685, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1685, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[136, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[239, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[240, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[149, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[241, "psi4.core.scatter", false]], "scf": [[1819, "index-0", false], [1819, "index-1", false]], "scf dipole": [[1757, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1757, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1757, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1757, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1757, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1757, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1757, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1757, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[394, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1685, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1685, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1685, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1685, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1685, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1685, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1685, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1685, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[85, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[395, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1721, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[277, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[242, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[243, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1685, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.scramble", false]], "scratch files": [[1748, "index-0", false]], "screening (globals)": [[1685, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1757, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1757, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1757, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1757, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1757, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1757, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1757, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1757, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1757, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1757, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1757, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1757, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1757, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1757, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1757, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1757, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1685, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1685, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1685, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1685, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1685, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1685, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1685, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1757, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1757, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1685, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1685, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1685, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1685, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1685, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1685, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1685, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[85, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[89, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.set", false]], "set() (psi4.core.vector method)": [[149, "psi4.core.Vector.set", false]], "set_aa_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_aa_int_name", false]], "set_ab_int_name() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_ab_int_name", false]], "set_active_fragment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_active_fragment", false]], "set_active_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_active_fragments", false]], "set_active_molecule() (in module psi4.core)": [[244, "psi4.core.set_active_molecule", false]], "set_alpha() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_alpha", false]], "set_ansatz() (psi4.core.pointfunctions method)": [[120, "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)": [[115, "psi4.core.Options.set_array", false]], "set_array() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[245, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[91, "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)": [[89, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[149, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[115, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[324, "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)": [[81, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[107, "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)": [[115, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[93, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[246, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[87, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[324, "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)": [[81, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[139, "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)": [[139, "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)": [[81, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[93, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[115, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[85, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[85, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[247, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[248, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[151, "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)": [[107, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[115, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[85, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[266, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[249, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[250, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[396, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[375, "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)": [[91, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[93, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[251, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[81, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[81, "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)": [[266, "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)": [[151, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[397, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[107, "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)": [[81, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "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)": [[107, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[252, "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)": [[81, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[97, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[93, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[398, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[377, "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)": [[91, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1749, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[253, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[81, "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)": [[87, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[120, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[75, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[93, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[132, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[148, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[254, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[115, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[85, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[85, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[255, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[151, "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)": [[324, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[88, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[115, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[115, "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)": [[91, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[112, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[91, "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)": [[97, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[256, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[324, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[93, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[74, "psi4.core.ExternalPotential.setName", false]], "setting": [[1721, "index-0", false], [1733, "index-0", false], [1742, "index-0", false], [1747, "index-0", false], [1753, "index-0", false], [1775, "index-1", false], [1781, "index-0", false], [1807, "index-0", false], [1813, "index-2", false], [1814, "index-2", false]], "setting keywords": [[1779, "index-2", false], [1779, "index-3", false], [1779, "index-4", false], [1779, "index-5", false], [1779, "index-6", false]], "sf_restrict (detci)": [[1685, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[101, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[149, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[87, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[88, "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.erisieve method)": [[70, "psi4.core.ERISieve.shell_significant", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[144, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[145, "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)": [[137, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[90, "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)": [[1721, "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)": [[1685, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1820, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1747, "index-0", false]], "singles_print (cceom)": [[1685, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[138, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1685, "term-SMALL_CUTOFF-PSIMRCC", true]], "sns-mp2": [[1787, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_angular_momentum", false]], "so_dipole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_dipole", false]], "so_dipole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_dipole", false]], "so_dkh() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_dkh", false]], "so_kinetic() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_kinetic", false]], "so_kinetic() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_kinetic", false]], "so_multipoles() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_multipoles", false]], "so_nabla() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_nabla", false]], "so_nabla() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_nabla", false]], "so_overlap() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_overlap", false]], "so_overlap() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_overlap", false]], "so_potential() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_potential", false]], "so_potential() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_potential", false]], "so_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_quadrupole", false]], "so_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.integralfactory method)": [[90, "psi4.core.IntegralFactory.so_traceless_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.so_traceless_quadrupole", false]], "sobasisset (class in psi4.core)": [[133, "psi4.core.SOBasisSet", false]], "sobasisset() (psi4.core.mintshelper method)": [[104, "psi4.core.MintsHelper.sobasisset", false]], "sobasisset() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1685, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1685, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[131, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1685, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1685, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1685, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1685, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1685, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1685, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1685, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1685, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1685, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[330, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[134, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1757, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1757, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1757, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1757, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1757, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1757, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1757, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1757, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1685, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1685, "term-SOS_TYPE-OCC", true]], "soscf": [[1819, "index-3", false]], "soscf (scf)": [[1685, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1685, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1685, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1685, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1685, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1685, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[85, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[119, "psi4.core.PetiteList.sotoao", false]], "specification": [[1814, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1736, "index-3", false]], "spin_scale_type (occ)": [[1685, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1685, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1685, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1685, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1685, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1685, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1757, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1757, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1757, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1757, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1757, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1685, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1685, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1685, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[85, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[146, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1685, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1685, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1685, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1685, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1685, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1685, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[87, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[379, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[269, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[278, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1685, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[136, "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)": [[1749, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[127, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1685, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[139, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[92, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[121, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1685, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1814, "index-2", false], [1814, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[140, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1685, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1685, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1685, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1685, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1685, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1685, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1685, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1685, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1685, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1685, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1685, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1685, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1685, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[266, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1822, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1753, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1775, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1749, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1749, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1757, "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)": [[1757, "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": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1757, "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": [[1757, "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)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1757, "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)": [[1757, "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)": [[1757, "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": [[1757, "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": [[1757, "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": [[1757, "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": [[1757, "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)": [[1757, "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)": [[1757, "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": [[1757, "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": [[1757, "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)": [[1757, "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)": [[1757, "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)": [[1757, "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": [[1757, "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)": [[1757, "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": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1757, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1757, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1757, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1757, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1757, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1822, "index-0", false]], "tddft": [[1822, "index-0", false]], "tdm (detci)": [[1685, "term-TDM-DETCI", true]], "tdscf": [[1822, "index-0", false], [1822, "index-1", false]], "tdscf() (in module psi4.driver)": [[399, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1685, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1685, "term-TDSCF_GUESS-SCF", true]], "tdscf_maxiter (scf)": [[1685, "term-TDSCF_MAXITER-SCF", true]], "tdscf_print (scf)": [[1685, "term-TDSCF_PRINT-SCF", true]], "tdscf_r_convergence (scf)": [[1685, "term-TDSCF_R_CONVERGENCE-SCF", true]], "tdscf_states (scf)": [[1685, "term-TDSCF_STATES-SCF", true]], "tdscf_tda (scf)": [[1685, "term-TDSCF_TDA-SCF", true]], "tdscf_tdm_print (scf)": [[1685, "term-TDSCF_TDM_PRINT-SCF", true]], "tdscf_triplets (scf)": [[1685, "term-TDSCF_TRIPLETS-SCF", true]], "tdscfconvergenceerror": [[278, "psi4.driver.TDSCFConvergenceError", false]], "test_b (optking)": [[1685, "term-TEST_B-OPTKING", true]], "test_derivative_b (optking)": [[1685, "term-TEST_DERIVATIVE_B-OPTKING", true]], "test_functional() (psi4.core.superfunctional method)": [[139, "psi4.core.SuperFunctional.test_functional", false]], "test_matrix_dpd_interface() (in module psi4.core)": [[257, "psi4.core.test_matrix_dpd_interface", false]], "testcomparisonerror": [[279, "psi4.driver.TestComparisonError", false]], "the total electronic gradient [e_h/a0] of the mp2 level of theory, ({nat}, 3).": [[1757, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", false]], "theory": [[0, "index-2", false], [285, "index-0", false], [1721, "index-1", false], [1722, "index-0", false], [1723, "index-0", false], [1734, "index-0", false], [1736, "index-1", false], [1737, "index-1", false], [1738, "index-0", false], [1744, "index-1", false], [1751, "index-0", false], [1770, "index-1", false], [1779, "index-1", false], [1780, "index-0", false], [1818, "index-0", false], [1819, "index-1", false], [1822, "index-1", false]], "thermal energy": [[1757, "psivar-THERMAL-ENERGY", false]], "thermal energy correction": [[1757, "psivar-THERMAL-ENERGY-CORRECTION", false]], "thermo() (in module psi4.driver.qcdb.vib)": [[391, "psi4.driver.qcdb.vib.thermo", false]], "theta_points (scf)": [[1685, "term-THETA_POINTS-SCF", true]], "thickness (scf)": [[1685, "term-THICKNESS-SCF", true]], "threading": [[1748, "index-6", false], [1748, "index-9", false]], "three_particle (dct)": [[1685, "term-THREE_PARTICLE-DCT", true]], "threecenteroverlapint (class in psi4.core)": [[142, "psi4.core.ThreeCenterOverlapInt", false]], "tikhonow_max (psimrcc)": [[1685, "term-TIKHONOW_MAX-PSIMRCC", true]], "tikhonow_omega (dct)": [[1685, "term-TIKHONOW_OMEGA-DCT", true]], "tikhonow_omega (psimrcc)": [[1685, "term-TIKHONOW_OMEGA-PSIMRCC", true]], "tikhonow_triples (psimrcc)": [[1685, "term-TIKHONOW_TRIPLES-PSIMRCC", true]], "tile_sz (scf)": [[1685, "term-TILE_SZ-SCF", true]], "timer_off() (in module psi4.core)": [[258, "psi4.core.timer_off", false]], "timer_on() (in module psi4.core)": [[259, "psi4.core.timer_on", false]], "tlaplacedenominator (class in psi4.core)": [[141, "psi4.core.TLaplaceDenominator", false]], "to_array() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.to_array", false]], "to_array() (psi4.core.vector method)": [[149, "psi4.core.Vector.to_array", false]], "to_arrays() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_arrays", false]], "to_dict() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_dict", false]], "to_file() (psi4.core.wavefunction method)": [[151, "psi4.core.Wavefunction.to_file", false]], "to_schema() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_schema", false]], "to_serial() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.to_serial", false]], "to_serial() (psi4.core.vector method)": [[149, "psi4.core.Vector.to_serial", false]], "to_string() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.to_string", false]], "to_tuple() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.to_tuple", false]], "tocclean() (psi4.core.io method)": [[87, "psi4.core.IO.tocclean", false]], "tocentry_exists() (psi4.core.io method)": [[87, "psi4.core.IO.tocentry_exists", false]], "tocprint() (psi4.core.io method)": [[87, "psi4.core.IO.tocprint", false]], "tocscan() (psi4.core.io method)": [[87, "psi4.core.IO.tocscan", false]], "tocwrite() (psi4.core.io method)": [[87, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1685, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1685, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[143, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transform", false]], "transform() (psi4.core.symmetryoperation method)": [[140, "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)": [[91, "psi4.core.IntegralTransform.transform_tei", false]], "transform_tei_first_half() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.transform_tei_first_half", false]], "transform_tei_second_half() (psi4.core.integraltransform method)": [[91, "psi4.core.IntegralTransform.transform_tei_second_half", false]], "transition state": [[1783, "index-2", false]], "translate() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.translate", false]], "translate_psi4 (cfour)": [[1685, "term-TRANSLATE_PSI4-CFOUR", true]], "transpose() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transpose", false]], "transpose() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transpose", false]], "transpose() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.transpose", false]], "transpose_this() (psi4.core.matrix method)": [[101, "psi4.core.Matrix.transpose_this", false]], "tree_expansion_order (pe)": [[1685, "term-TREE_EXPANSION_ORDER-PE", true]], "tree_theta (pe)": [[1685, "term-TREE_THETA-PE", true]], "triples_algorithm (psimrcc)": [[1685, "term-TRIPLES_ALGORITHM-PSIMRCC", true]], "triples_diis (psimrcc)": [[1685, "term-TRIPLES_DIIS-PSIMRCC", true]], "triples_iabc_type (dfocc)": [[1685, "term-TRIPLES_IABC_TYPE-DFOCC", true]], "triples_low_memory (fnocc)": [[1685, "term-TRIPLES_LOW_MEMORY-FNOCC", true]], "triplet() (in module psi4.core)": [[260, "psi4.core.triplet", false]], "triplet() (psi4.core.matrix static method)": [[101, "psi4.core.Matrix.triplet", false]], "trove (psi4.driver.driver_cbs.compositecomputer attribute)": [[1721, "psi4.driver.driver_cbs.CompositeComputer.trove", false]], "true_atomic_number() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.true_atomic_number", false]], "tstart() (in module psi4.core)": [[261, "psi4.core.tstart", false]], "tstop() (in module psi4.core)": [[262, "psi4.core.tstop", false]], "turn_on_actv (mcscf)": [[1685, "term-TURN_ON_ACTV-MCSCF", true]], "two-electron energy": [[1757, "psivar-TWO-ELECTRON-ENERGY", false]], "twobodyaoint (class in psi4.core)": [[144, "psi4.core.TwoBodyAOInt", false]], "twoel_hx() (psi4.core.hf method)": [[85, "psi4.core.HF.twoel_Hx", false]], "twoel_hx_full() (psi4.core.rhf method)": [[129, "psi4.core.RHF.twoel_Hx_full", false]], "twoelectronint (class in psi4.core)": [[145, "psi4.core.TwoElectronInt", false]], "u (psi4.core.localizer attribute)": [[98, "psi4.core.Localizer.U", false]], "uhf (class in psi4.core)": [[146, "psi4.core.UHF", false]], "uhf_noons (scf)": [[1685, "term-UHF_NOONS-SCF", true]], "uksfunctions (class in psi4.core)": [[147, "psi4.core.UKSFunctions", false]], "uncp-corrected 2-body interaction energy": [[1757, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "unify() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.unify", false]], "unify_part2() (psi4.core.fisapt method)": [[77, "psi4.core.FISAPT.unify_part2", false]], "unit() (psi4.core.symmetryoperation method)": [[140, "psi4.core.SymmetryOperation.unit", false]], "units": [[1814, "index-2", false]], "units() (psi4.core.molecule method)": [[107, "psi4.core.Molecule.units", false]], "unnormalized (psi4.core.primitivetype attribute)": [[123, "psi4.core.PrimitiveType.Unnormalized", false]], "up (psi4.driver.p4util.inpsight attribute)": [[324, "psi4.driver.p4util.InPsight.up", false]], "update (detci)": [[1685, "term-UPDATE-DETCI", true]], "update() (psi4.core.somcscf method)": [[134, "psi4.core.SOMCSCF.update", false]], "update_density() (psi4.core.twobodyaoint 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CORRELATION ENERGY"], [1757, 9, 1, "psivar-CEPA-3-DOUBLES-ENERGY", "CEPA(3) DOUBLES ENERGY"], [1757, 9, 1, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", "CEPA(3) OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", "CEPA(3) SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CEPA-3-SINGLES-ENERGY", "CEPA(3) SINGLES ENERGY"], [1757, 9, 1, "psivar-CEPA-3-TOTAL-ENERGY", "CEPA(3) TOTAL ENERGY"], [1757, 9, 1, "psivar-CFOUR-ERROR-CODE", "CFOUR ERROR CODE"], [1757, 9, 1, "psivar-CI-CORRELATION-ENERGY", "CI CORRELATION ENERGY"], [1757, 9, 1, "psivar-CI-DIPOLE", "CI DIPOLE"], [1757, 9, 1, "psivar-CI-QUADRUPOLE", "CI QUADRUPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", "CI ROOT n -&gt; ROOT m DIPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-ROOT-m-QUADRUPOLE", "CI ROOT n -&gt; ROOT m QUADRUPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-CORRELATION-ENERGY", "CI ROOT n CORRELATION ENERGY"], [1757, 9, 1, "psivar-CI-ROOT-n-DIPOLE", "CI ROOT n DIPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-QUADRUPOLE", "CI ROOT n QUADRUPOLE"], [1757, 9, 1, "psivar-CI-ROOT-n-TOTAL-ENERGY", "CI ROOT n TOTAL ENERGY"], [1757, 9, 1, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY", "CI STATE-AVERAGED CORRELATION ENERGY"], [1757, 9, 1, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY", "CI STATE-AVERAGED TOTAL ENERGY"], [1757, 9, 1, "psivar-CI-TOTAL-ENERGY", "CI TOTAL ENERGY"], [1757, 9, 1, "psivar-CISD-CORRELATION-ENERGY", "CISD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-DIPOLE", "CISD DIPOLE"], [1757, 9, 1, "psivar-CISD-DOUBLES-ENERGY", "CISD DOUBLES ENERGY"], [1757, 9, 1, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "CISD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-QUADRUPOLE", "CISD QUADRUPOLE"], [1757, 9, 1, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", "CISD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISD-SINGLES-ENERGY", "CISD SINGLES ENERGY"], [1757, 9, 1, "psivar-CISD-TOTAL-ENERGY", "CISD TOTAL ENERGY"], [1757, 9, 1, "psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1757, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1757, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1757, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1757, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1748, 10, 1, "-", "CONDA_PREFIX"], [1757, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1719, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1719, 10, 1, "-", "CRAY_ADD_RPATH"], [1757, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1757, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1757, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1757, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1757, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1757, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1757, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", "CUSTOM SCS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", "CUSTOM SCS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", "CUSTOM SCS-OREMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1757, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1757, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1757, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1757, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1757, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1757, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1757, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1757, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1757, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1757, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1757, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1757, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1757, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1757, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1757, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1757, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1757, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1757, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1757, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1757, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1757, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1757, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1757, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1757, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1757, 9, 1, "-", "ENTHALPY"], [1757, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1757, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1757, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1757, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1757, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1757, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1757, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1757, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1757, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1757, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1757, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1757, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1757, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1757, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1757, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1757, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1757, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1748, 10, 1, "-", "HOST"], [1757, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1757, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1757, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1757, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1757, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1757, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1757, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1719, 10, 1, "-", "MATH_ROOT"], [1757, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1757, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1757, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1757, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1757, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1757, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1757, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1757, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1757, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1757, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1748, 10, 1, "-", "MKL_NUM_THREADS"], [1719, 10, 1, "-", "MKL_ROOT"], [1731, 10, 1, "-", "MONTAGE"], [1757, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1757, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1757, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1757, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1757, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1757, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1757, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1757, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1757, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1757, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1757, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1757, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1757, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1757, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1757, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1757, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1757, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1757, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1757, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1757, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1757, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1748, 10, 1, "-", "OMP_NESTED"], [1748, 10, 1, "-", "OMP_NUM_THREADS"], [1757, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1757, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1757, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1748, 10, 1, "-", "PATH"], [1757, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1757, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1748, 10, 1, "-", "PSIDATADIR"], [1748, 10, 1, "-", "PSIPATH"], [1748, 10, 1, "-", "PSI_SCRATCH"], [1748, 10, 1, "-", "PYTHONPATH"], [1757, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1757, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1757, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1757, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1757, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1757, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1757, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1757, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1757, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1757, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1757, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1757, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1757, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1757, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1757, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1757, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1757, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1757, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1757, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1757, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1757, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1757, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1757, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1757, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1757, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1757, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1757, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1757, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1757, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1757, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1757, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1757, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1757, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1757, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1757, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1757, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1757, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1757, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1757, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1757, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1757, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1757, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1757, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1757, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1757, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1757, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1757, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1757, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1757, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1757, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1757, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1757, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1757, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1757, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1757, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1757, 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)"], [1757, 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)"], [1757, 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"], [1757, 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"], [1757, 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"], [1757, 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"], [1757, 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)"], [1757, 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)"], [1757, 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"], [1757, 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"], [1757, 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)"], [1757, 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)"], [1757, 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)"], [1757, 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)"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1757, 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"], [1757, 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"], [1757, 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"], [1757, 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)"], [1757, 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)"], [1757, 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"], [1757, 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"], [1757, 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)"], [1757, 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)"], [1757, 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)"], [1757, 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"], [1757, 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)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], [1757, 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"], [1757, 9, 1, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", "TD-fctl ROOT n (IN h) TOTAL ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", "TD-fctl ROOT n (h) TOTAL ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", "TD-fctl ROOT n TOTAL ENERGY"], [1757, 9, 1, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", "TD-fctl ROOT n TOTAL ENERGY - h TRANSITION"], [1757, 9, 1, "psivar-THERMAL-ENERGY", "THERMAL ENERGY"], [1757, 9, 1, "psivar-THERMAL-ENERGY-CORRECTION", "THERMAL ENERGY CORRECTION"], [1757, 9, 1, "psivar-TWO-ELECTRON-ENERGY", "TWO-ELECTRON ENERGY"], [1757, 9, 1, "psivar-UNCP-CORRECTED-2-BODY-INTERACTION-ENERGY", "UNCP-CORRECTED 2-BODY INTERACTION ENERGY"], [1731, 10, 1, "-", "VMDPATH"], [1757, 9, 1, "psivar-WIBERG-LOWDIN-INDICES", "WIBERG LOWDIN INDICES"], [1757, 9, 1, "psivar-ZAPTn-CORRELATION-ENERGY", "ZAPTn CORRELATION ENERGY"], [1757, 9, 1, "psivar-ZAPTn-TOTAL-ENERGY", "ZAPTn TOTAL ENERGY"], [1757, 9, 1, "psivar-ZERO-K-ENTHALPY", "ZERO K ENTHALPY"], [1757, 9, 1, "-", "ZPVE"], [1757, 9, 1, "psivar-T-CORRECTION-ENERGY", "[T] CORRECTION ENERGY"], [1757, 9, 1, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", "db_name DATABASE MEAN ABSOLUTE DEVIATION"], [1757, 9, 1, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", "db_name DATABASE MEAN SIGNED DEVIATION"], [1757, 9, 1, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", "db_name DATABASE ROOT-MEAN-SQUARE DEVIATION"], [1757, 9, 1, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", "fctl DISPERSION CORRECTION ENERGY"], [1757, 9, 1, "psivar-mtd-128-POLE", "mtd 128-POLE"], [1757, 9, 1, "psivar-mtd-32-POLE", "mtd 32-POLE"], [1757, 9, 1, "psivar-mtd-64-POLE", "mtd 64-POLE"], [1757, 9, 1, "psivar-mtd-DIPOLE", "mtd DIPOLE"], [1757, 9, 1, "psivar-mtd-HEXADECAPOLE", "mtd HEXADECAPOLE"], [1757, 9, 1, "psivar-mtd-OCTUPOLE", "mtd OCTUPOLE"], [1757, 9, 1, "psivar-mtd-QUADRUPOLE", "mtd QUADRUPOLE"]], "CUSTOM SCS-MP2": [[1757, 9, 1, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "CUSTOM SCS-OMP2": [[1757, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1757, 9, 1, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "MP2": [[1757, 9, 1, "psivar-MP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1757, 9, 1, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-MP2.5-SINGLES-ENERGY", "5 SINGLES ENERGY"], [1757, 9, 1, "psivar-MP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "NBODY (i, j, ..., k)@(a, b, ..": [[1757, 9, 1, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", ", c) TOTAL ENERGY"]], "OMP2": [[1757, 9, 1, "psivar-OMP2.5-CORRELATION-ENERGY", "5 CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2.5-DOUBLES-ENERGY", "5 DOUBLES ENERGY"], [1757, 9, 1, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", "5 OPPOSITE-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", "5 REFERENCE CORRECTION ENERGY"], [1757, 9, 1, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", "5 SAME-SPIN CORRELATION ENERGY"], [1757, 9, 1, "psivar-OMP2.5-TOTAL-ENERGY", "5 TOTAL ENERGY"]], "SAPT EST": [[1757, 9, 1, "psivar-SAPT-EST.DISP22-T-ENERGY", "DISP22(T) ENERGY"], [1757, 9, 1, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", "DISP22(T)(CCD) ENERGY"]], "The total electronic gradient [E_h/a0] of the MP2 level of theory, ({nat}, 3)": [[1757, 9, 1, "psivar-The-total-electronic-gradient-E_h-a0-of-the-MP2-level-of-theory-nat-3-.", ""]], "psi4": [[2, 0, 1, "", "compare"], [2, 0, 1, "", "compare_cubes"], [2, 0, 1, "", "compare_fchkfiles"], [2, 0, 1, "", "compare_fcidumps"], [2, 0, 1, "", 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by M. 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", "ERISieve", "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\">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_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\">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\">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", "A24alt", "&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": {"": [885, 1211, 1716, 1719, 1727, 1740, 1755, 1766, 1818], "0": 1802, "1": [1714, 1751, 1819], "2": 1769, "2nd": 1737, "3": 1769, "3rc1": 1769, "4": [1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1719, 1720, 1723, 1724, 1727, 1729, 1739, 1745, 1758, 1759, 1761, 1762, 1778, 1780, 1783, 1785, 1791, 1795, 1796, 1797, 1798, 1799, 1800, 1805, 1806, 1808, 1811, 1814, 1819, 1825], "8": 1769, "82": [1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1720, 1723, 1724, 1727, 1729, 1739, 1745, 1758, 1759, 1761, 1762, 1778, 1780, 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"cc_os_scal": [437, 1200], "cc_ras34_max": [797, 1211], "cc_ras3_max": [798, 1211], "cc_ras4_max": [799, 1211], "cc_scale_o": [1068, 1220, 1752], "cc_scale_ss": [1069, 1220, 1752], "cc_ss_scale": [438, 1200], "cc_time": [1070, 1220, 1752], "cc_type": [1107, 1222, 1720, 1723, 1737, 1738, 1752, 1762, 1779], "cc_update_ep": [800, 1211], "cc_val_ex_level": [801, 1211], "cc_variat": [802, 1211], "cc_vecs_read": [803, 1211], "cc_vecs_writ": [804, 1211], "ccd_e_converg": [1231, 1436], "ccd_maxit": [1231, 1437], "ccd_t_converg": [1231, 1438], "ccdensiti": [161, 1199], "ccenergi": [162, 1200, 1650, 1723], "cceom": [163, 1201], "cchbar": [164, 1202], "ccl_energi": [1226, 1245], "cclambda": [165, 1203], "cclr": 1723, "ccrespons": [166, 1204], "ccsd": 1752, "cctransort": [167, 1205], "cctripl": [168, 1206], "ccwavefunct": 11, "cdsalc": 15, "cdsalclist": 16, "center": 1818, "cepa": 1752, "cepa_level": [1071, 1220, 1752], "cepa_no_singl": [1072, 1220, 1752], "cepa_os_scal": [1226, 1246], 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1748, 1756, 1772, 1776, 1777, 1782, 1817], "option_exists_in_modul": 220, "options_to_python": 221, "optionsst": 328, "optionsstatecm": 329, "optionst": 327, "optk": [1227, 1783], "orb_opt": [946, 1214, 1226, 1281, 1779], "orb_resp_solv": [947, 1214, 1226, 1282], "orbit": [1714, 1731, 1736, 1744, 1751, 1752, 1762, 1770, 1779, 1791, 1810, 1818], "orbital_level_shift": [745, 1209], "orbitals_writ": [1232, 1582], "orbitalspac": 116, "order": [1211, 1736, 1737, 1751, 1810, 1814, 1818, 1819], "org": 1769, "organ": 1811, "origin": 1780, "orth_typ": [948, 1214, 1226, 1283, 1779], "orthogon": 1819, "os_scal": [1226, 1284], "other": [1714, 1751], "outfile_nam": 222, "output": [2, 1721, 1724, 1733, 1767, 1783, 1824], "overal": 1762, "overlap": 1720, "overlap_check": [489, 1201], "overlapint": 117, "overrid": 1802, "overview": [1762, 1796, 1798], "p": [1233, 1646, 1675, 1676, 1677, 1678, 1680, 1681, 1682, 1683, 1687, 1688, 1689, 1712, 1713, 1714, 1716, 1717, 1718, 1720, 1723, 1724, 1727, 1729, 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1818], "perturb_cb": [1230, 1419], "perturb_cbs_coupl": [1230, 1420], "perturb_dipol": [1232, 1584], "perturb_h": [1232, 1585], "perturb_magnitud": [874, 1211, 1232, 1586], "perturb_with": [1232, 1587], "petersson": 1714, "petitelist": 119, "phi_point": [1232, 1588], "photon": 1822, "physic": [1687, 1813], "pk_all_nonsym": [1232, 1589], "pk_max_bucket": [1232, 1590], "plain": 2, "plan": [1719, 1811], "plesset": [1737, 1779], "plot": 1822, "plugin": [223, 1727, 1788, 1789, 1805], "plugin_clos": 224, "plugin_close_al": 225, "plugin_load": 226, "plump_qcvar": 368, "pmlocal": 118, "pno_converg": [976, 1215], "point": [1029, 1218, 1747, 1751], "pointfunct": 120, "pointgroup": 121, "polar": 0, "polariz": [1730, 1784], "popl": 1714, "post": [1741, 1762, 1769, 1819], "postreleas": 1769, "potenti": [1711, 1798, 1809, 1819, 1825], "potentialint": 122, "potfil": [1229, 1391, 1730], "ppl_type": [952, 1214], "practic": 1811, "pre": [1769, 1789], "precondition": [875, 1211], "prefactor_ecd": 369, 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\ No newline at end of file
diff --git a/sphinxman/master/simint.html b/sphinxman/master/simint.html
index 5bbca1056b3..254e6366dbc 100644
--- a/sphinxman/master/simint.html
+++ b/sphinxman/master/simint.html
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index 2303d705c0c..977301fd4f0 100644
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@@ -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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></script>
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@@ -102,7 +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/sowreap.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/tdscf.html b/sphinxman/master/tdscf.html
index df8a581955b..b0161eb7601 100644
--- a/sphinxman/master/tdscf.html
+++ b/sphinxman/master/tdscf.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/tdscf.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -572,7 +572,7 @@ <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/tdscf.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -586,7 +586,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/testsuite.html b/sphinxman/master/testsuite.html
index 93d8e74f3ab..59a7cd90ea1 100644
--- a/sphinxman/master/testsuite.html
+++ b/sphinxman/master/testsuite.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -1723,7 +1723,7 @@ <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/testsuite.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -1737,7 +1737,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/thermo.html b/sphinxman/master/thermo.html
index 92baea43ce1..fe92533d8c3 100644
--- a/sphinxman/master/thermo.html
+++ b/sphinxman/master/thermo.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/thermo.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -281,7 +281,7 @@ <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/thermo.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/tutorial.html b/sphinxman/master/tutorial.html
index 9731b62197a..6b562272fea 100644
--- a/sphinxman/master/tutorial.html
+++ b/sphinxman/master/tutorial.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=b2221a65"></script>
+    <script src="_static/documentation_options.js?v=5486f281"></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/tutorial.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/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -715,7 +715,7 @@ <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/tutorial.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/6f66e7b">1.10a1.dev44</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/3e8a827">1.10a1.dev45</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>
@@ -729,7 +729,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Wednesday, 07 August 2024 10:14PM.
+      Last updated on Thursday, 08 August 2024 03:24AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->