diff --git a/sphinxman/master/_modules/index.html b/sphinxman/master/_modules/index.html
index 346d0a32368..db5b63b5207 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index caca89d1a71..aca05f47b65 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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     <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=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -385,7 +385,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/_modules/psi4/driver/diatomic.html b/sphinxman/master/_modules/psi4/driver/diatomic.html
index 51ce4ad1273..5277200d335 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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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -461,7 +461,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/_modules/psi4/driver/driver.html b/sphinxman/master/_modules/psi4/driver/driver.html
index 2c1fa0d5d4c..126a861b694 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=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -2314,7 +2314,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -2328,7 +2328,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 0a88c2046ff..a64a315b28c 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=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -2026,7 +2026,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 dec499cdf50..b37f568105a 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=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -907,7 +907,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 c5f27a19814..3e2d1fb8f48 100644
--- a/sphinxman/master/_modules/psi4/driver/driver_findif.html
+++ b/sphinxman/master/_modules/psi4/driver/driver_findif.html
@@ -46,7 +46,7 @@
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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../../../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1761,7 +1761,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -965,7 +965,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/_modules/psi4/driver/p4util/exceptions.html
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-    <script src="../../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -759,7 +759,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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     <div class="footer" role="contentinfo">
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../../../../_static/documentation_options.js?v=ffd2eaaa"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../../../../_static/documentation_options.js?v=c8742349"></script>
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@@ -5743,7 +5743,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../../../../_static/documentation_options.js?v=ffd2eaaa"></script>
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@@ -2307,7 +2307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -46,7 +46,7 @@
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-    <script src="../../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../../_static/documentation_options.js?v=c8742349"></script>
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@@ -1454,7 +1454,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></script>
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@@ -390,7 +390,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></script>
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@@ -478,7 +478,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../../../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -471,7 +471,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 32b0b5de2a1..df5274e5aa0 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=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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/wrapper_autofrag.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -252,7 +252,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><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/wrapper_autofrag.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -266,7 +266,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 d839001e76b..d82962659b1 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=ffd2eaaa"></script>
+    <script src="../../../_static/documentation_options.js?v=c8742349"></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/wrapper_database.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -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>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/wrapper_database.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 f83ee4746f8..ec0366041e1 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=ffd2eaaa"></script>
+    <script src="../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
     <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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 5508f987f52..00708c8a9f0 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=ffd2eaaa"></script>
+    <script src="../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 67acffb2b8f..8fbcd8819eb 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=ffd2eaaa"></script>
+    <script src="../../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/_sources/autodir_options_c/optking__opt_coordinates.rst.txt b/sphinxman/master/_sources/autodir_options_c/optking__opt_coordinates.rst.txt
index 2ecc4cdc20d..c65179ecd25 100644
--- a/sphinxman/master/_sources/autodir_options_c/optking__opt_coordinates.rst.txt
+++ b/sphinxman/master/_sources/autodir_options_c/optking__opt_coordinates.rst.txt
@@ -4,6 +4,6 @@
       Geometry optimization coordinates to use. REDUNDANT and INTERNAL are synonyms and the default. CARTESIAN uses only cartesian coordinates. BOTH uses both redundant and cartesian coordinates.
 
       * **Type**: string
-      * **Possible Values**: REDUNDANT, INTERNAL, CARTESIAN, BOTH
+      * **Possible Values**: REDUNDANT, INTERNAL, CARTESIAN, BOTH, CUSTOM
       * **Default**: INTERNAL
 
diff --git a/sphinxman/master/_sources/autodir_options_c/optking__step_type.rst.txt b/sphinxman/master/_sources/autodir_options_c/optking__step_type.rst.txt
index b90f9166283..a8ba0a5c499 100644
--- a/sphinxman/master/_sources/autodir_options_c/optking__step_type.rst.txt
+++ b/sphinxman/master/_sources/autodir_options_c/optking__step_type.rst.txt
@@ -4,6 +4,6 @@
       Geometry optimization step type, either Newton-Raphson or Rational Function Optimization
 
       * **Type**: string
-      * **Possible Values**: RFO, P\_RFO, NR, SD, LINESEARCH
+      * **Possible Values**: RFO, RS\_I\_RFO, P\_RFO, NR, SD, LINESEARCH
       * **Default**: RFO
 
diff --git a/sphinxman/master/_sources/autodoc_glossary_options_c.rst.txt b/sphinxman/master/_sources/autodoc_glossary_options_c.rst.txt
index 9e75099085b..90883d3b356 100644
--- a/sphinxman/master/_sources/autodoc_glossary_options_c.rst.txt
+++ b/sphinxman/master/_sources/autodoc_glossary_options_c.rst.txt
@@ -4657,7 +4657,7 @@ Keywords by Alpha
       :ref:`apdx:OPTKING` |w---w| Geometry optimization coordinates to use. REDUNDANT and INTERNAL are synonyms and the default. CARTESIAN uses only cartesian coordinates. BOTH uses both redundant and cartesian coordinates.
 
       * **Type**: string
-      * **Possible Values**: REDUNDANT, INTERNAL, CARTESIAN, BOTH
+      * **Possible Values**: REDUNDANT, INTERNAL, CARTESIAN, BOTH, CUSTOM
       * **Default**: INTERNAL
 
    OPT_TYPE (OPTKING)
@@ -4725,7 +4725,7 @@ Keywords by Alpha
       :ref:`apdx:OPTKING` |w---w| Geometry optimization step type, either Newton-Raphson or Rational Function Optimization
 
       * **Type**: string
-      * **Possible Values**: RFO, P\_RFO, NR, SD, LINESEARCH
+      * **Possible Values**: RFO, RS\_I\_RFO, P\_RFO, NR, SD, LINESEARCH
       * **Default**: RFO
 
    FLEXIBLE_G_CONVERGENCE (OPTKING)
diff --git a/sphinxman/master/_sources/bibliography.rst.txt b/sphinxman/master/_sources/bibliography.rst.txt
index 9d410ca4a56..eabc5fd095c 100644
--- a/sphinxman/master/_sources/bibliography.rst.txt
+++ b/sphinxman/master/_sources/bibliography.rst.txt
@@ -149,6 +149,10 @@ Bibliography
    Bofill,
    *J. Comp. Chem.* **15**, 1-11 (1994).
 
+.. [Besalu:1998:265]
+   Besalú, E., Bofill, J.,
+   *Theor Chem Acc* **100**, 265–274 (1998)
+
 .. [Piecuch:1999:6103]
    P. Piecuch, S. A. Kicharski, and R. J. Bartlett,
    *J. Chem. Phys.* **110**, 6103 (1999).
diff --git a/sphinxman/master/_sources/optking.rst.txt b/sphinxman/master/_sources/optking.rst.txt
index 7292c085557..bf0b171e3d6 100644
--- a/sphinxman/master/_sources/optking.rst.txt
+++ b/sphinxman/master/_sources/optking.rst.txt
@@ -170,6 +170,10 @@ The Hessian may be computed during an optimization using the
 Transition States and Reaction Paths
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
+Optking currently has two transition state algorithms. The current default is the
+newer RS_I_RFO algorithm [Besalu:1998:265]_ . The old algorithm can be used by setting
+`STEP_TYPE P_RFO` for `OPT_TYPE TS`
+
 * Calculate a starting Hessian and optimize the "transition state" of
   linear water (note that without a reasonable starting geometry and
   Hessian, such a straightforward search often fails)::
diff --git a/sphinxman/master/_static/documentation_options.js b/sphinxman/master/_static/documentation_options.js
index 00894c9261a..0a46d7305f0 100644
--- a/sphinxman/master/_static/documentation_options.js
+++ b/sphinxman/master/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '1813c0c',
+    VERSION: '82ce595',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
diff --git a/sphinxman/master/adc.html b/sphinxman/master/adc.html
index 4d02c10729a..bd896cde011 100644
--- a/sphinxman/master/adc.html
+++ b/sphinxman/master/adc.html
@@ -47,7 +47,7 @@
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -312,7 +312,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -634,7 +634,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -323,7 +323,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -285,7 +285,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -403,7 +403,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 719aafa5b4f..b50c686859c 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d81b958fc33..f2398e2b8de 100644
--- a/sphinxman/master/api/psi4.core.CorrelationTable.html
+++ b/sphinxman/master/api/psi4.core.CorrelationTable.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -291,7 +291,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f38ecf571ce..5ef17c11233 100644
--- a/sphinxman/master/api/psi4.core.CubeProperties.html
+++ b/sphinxman/master/api/psi4.core.CubeProperties.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8789d201a0c..b2feb716e17 100644
--- a/sphinxman/master/api/psi4.core.DASUM.html
+++ b/sphinxman/master/api/psi4.core.DASUM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c87fd2a4951..185abe85b41 100644
--- a/sphinxman/master/api/psi4.core.DAXPY.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9c977fd7228..70e40f57406 100644
--- a/sphinxman/master/api/psi4.core.DCOPY.html
+++ b/sphinxman/master/api/psi4.core.DCOPY.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f9d4e90a054..721d205f55c 100644
--- a/sphinxman/master/api/psi4.core.DDOT.html
+++ b/sphinxman/master/api/psi4.core.DDOT.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0b51222284b..a5f15a82919 100644
--- a/sphinxman/master/api/psi4.core.DFEP2Wavefunction.html
+++ b/sphinxman/master/api/psi4.core.DFEP2Wavefunction.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4e22deb476e..7d4cc2421c5 100644
--- a/sphinxman/master/api/psi4.core.DFHelper.html
+++ b/sphinxman/master/api/psi4.core.DFHelper.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0de3ef274dc..0fc2707ca27 100644
--- a/sphinxman/master/api/psi4.core.DFTGrid.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7bcbae7d07a..c208071335a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -283,7 +283,7 @@ <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3f3005711bd..1980ab54291 100644
--- a/sphinxman/master/api/psi4.core.DGBMV.html
+++ b/sphinxman/master/api/psi4.core.DGBMV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c9403508388..5220e84e8a0 100644
--- a/sphinxman/master/api/psi4.core.DGEEV.html
+++ b/sphinxman/master/api/psi4.core.DGEEV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 335a3eed85b..4c5643b4a77 100644
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c99bd8fc05a..13648485c2a 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9d6bcd0f82c..751af96c49c 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8f6b95de0ad..edaae2f9855 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4c9c5d21cce..fdb3720fc94 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index de919f5afc7..220ff952c7c 100644
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+++ b/sphinxman/master/api/psi4.core.DSYEV.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2dedcc50ac8..2def06295e0 100644
--- a/sphinxman/master/api/psi4.core.DSYMM.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 42d6ad0df2b..73aba2c914f 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d9b674b00ef..f2988186c0c 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.DSYR2K.html b/sphinxman/master/api/psi4.core.DSYR2K.html
index d2d5eeb1ecc..bdb966f5845 100644
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+++ b/sphinxman/master/api/psi4.core.DSYR2K.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index f5c554fc9cc..46e8f143a08 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index de7ccd88b7d..546fad4c70f 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 809eaab371a..cbbb1b1c113 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 84c8f80cd52..77671dfb68c 100644
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+++ b/sphinxman/master/api/psi4.core.DTRSM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -265,7 +265,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e7003ecd33f..7d8ba1e3a6a 100644
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+++ b/sphinxman/master/api/psi4.core.DirectJK.html
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -447,7 +447,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b509ff61d03..cae1a5e46d5 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f50ff35b3e9..113d9388abf 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -517,7 +517,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.FittedSlaterCorrelationFactor.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -264,7 +264,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 82bcb619457..a0168ee06ca 100644
--- a/sphinxman/master/api/psi4.core.Functional.html
+++ b/sphinxman/master/api/psi4.core.Functional.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 36bfb6a77ab..ce8a8263738 100644
--- a/sphinxman/master/api/psi4.core.GaussianShell.html
+++ b/sphinxman/master/api/psi4.core.GaussianShell.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -359,7 +359,7 @@ <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4ebcc9bd5ca..bef0ccb6f45 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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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         <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1a97c044ff3..d0fa508265e 100644
--- a/sphinxman/master/api/psi4.core.GeometryUnits.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -254,7 +254,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 57360633567..21d9bd7aac8 100644
--- a/sphinxman/master/api/psi4.core.HF.html
+++ b/sphinxman/master/api/psi4.core.HF.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -990,7 +990,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -1004,7 +1004,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b47380e74e7..afd784c274b 100644
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+++ b/sphinxman/master/api/psi4.core.IDAMAX.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -204,7 +204,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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@@ -305,7 +305,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -269,7 +269,7 @@ <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index cd857866574..f45c7f60ed2 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -326,7 +326,7 @@ <h3>Navigation</h3>
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@@ -340,7 +340,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -1145,7 +1145,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -1117,7 +1117,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -307,7 +307,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -252,7 +252,7 @@ <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d94e349d0fe..8314736bf1a 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -378,7 +378,7 @@ <h3>Navigation</h3>
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@@ -392,7 +392,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -279,7 +279,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2ffd7ba24db..cc9323c9e15 100644
--- a/sphinxman/master/api/psi4.core.OneBodySOInt.html
+++ b/sphinxman/master/api/psi4.core.OneBodySOInt.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -242,7 +242,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -256,7 +256,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7b47e1b513b..f5e1052dafa 100644
--- a/sphinxman/master/api/psi4.core.Options.html
+++ b/sphinxman/master/api/psi4.core.Options.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1eabff7f75d..882ee89da85 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -337,7 +337,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bbf818be012..99232be687e 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7ef89c946ec..fe69cf9c108 100644
--- a/sphinxman/master/api/psi4.core.PMLocalizer.html
+++ b/sphinxman/master/api/psi4.core.PMLocalizer.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.PetiteList.html b/sphinxman/master/api/psi4.core.PetiteList.html
index ff284568d79..febba200ce9 100644
--- a/sphinxman/master/api/psi4.core.PetiteList.html
+++ b/sphinxman/master/api/psi4.core.PetiteList.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
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@@ -257,7 +257,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/api/psi4.core.QuadrupoleInt.html
@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=c8742349"></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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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -274,7 +274,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -288,7 +288,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d0ecdae76db..bbcfc82faaf 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6e1fdb22682..8f14326697a 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -314,7 +314,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index bcfc34ee140..1ccbdb1d5cb 100644
--- a/sphinxman/master/api/psi4.core.SADGuess.html
+++ b/sphinxman/master/api/psi4.core.SADGuess.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -294,7 +294,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index a24e7db24ba..666d21de09c 100644
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+++ b/sphinxman/master/api/psi4.core.SOBasisSet.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c1ce9eaa033..314b28e23b8 100644
--- a/sphinxman/master/api/psi4.core.SOMCSCF.html
+++ b/sphinxman/master/api/psi4.core.SOMCSCF.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -384,7 +384,7 @@ <h3>Navigation</h3>
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@@ -398,7 +398,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1a089402df7..5ac70813967 100644
--- a/sphinxman/master/api/psi4.core.SalcComponent.html
+++ b/sphinxman/master/api/psi4.core.SalcComponent.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 52c41c46459..9fef5c43ada 100644
--- a/sphinxman/master/api/psi4.core.SaveType.html
+++ b/sphinxman/master/api/psi4.core.SaveType.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -264,7 +264,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4e7f6587d0a..9b4b124cec9 100644
--- a/sphinxman/master/api/psi4.core.ShellInfo.html
+++ b/sphinxman/master/api/psi4.core.ShellInfo.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 35175740cf7..8b2aed10cf7 100644
--- a/sphinxman/master/api/psi4.core.Slice.html
+++ b/sphinxman/master/api/psi4.core.Slice.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ed59fe54593..31a5350bf9f 100644
--- a/sphinxman/master/api/psi4.core.SuperFunctional.html
+++ b/sphinxman/master/api/psi4.core.SuperFunctional.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 96a70c6b3d7..f0d26561f2c 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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>
@@ -233,7 +233,7 @@ <h3>Navigation</h3>
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@@ -247,7 +247,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1ddfac13aed..27595fd6081 100644
--- a/sphinxman/master/api/psi4.core.UHF.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d41a620985f..cb3e50db6ea 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 41524b57500..9d1ea40dfab 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 5dacc32ad9a..6ee3d42313b 100644
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7b1536c36fe..b77bc0dd704 100644
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a6da465789d..12d1e9040a3 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 57290e03d1d..68a624d8aa3 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dc36ea802c1..2c2a541c726 100644
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+++ b/sphinxman/master/api/psi4.core.clean_timers.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b1d59d9cd09..8f20c13a35f 100644
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+++ b/sphinxman/master/api/psi4.core.clean_variables.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.detci.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 539298239b3..d68a77c1f90 100644
--- a/sphinxman/master/api/psi4.core.dfmp2.html
+++ b/sphinxman/master/api/psi4.core.dfmp2.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 89dedfc6bdc..69b3b4a3fad 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ae983143f22..303a52d3062 100644
--- a/sphinxman/master/api/psi4.core.dlpno.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index f4049a7b2aa..3e22f6f7504 100644
--- a/sphinxman/master/api/psi4.core.dmrg.html
+++ b/sphinxman/master/api/psi4.core.dmrg.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 7d7efa40694..4fc5dc0bcfe 100644
--- a/sphinxman/master/api/psi4.core.doublet.html
+++ b/sphinxman/master/api/psi4.core.doublet.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 16b8930f643..bd208842cc7 100644
--- a/sphinxman/master/api/psi4.core.dpdbuf4.html
+++ b/sphinxman/master/api/psi4.core.dpdbuf4.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -253,7 +253,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index b898d2ca8f0..4fd2a43b4e9 100644
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+++ b/sphinxman/master/api/psi4.core.dpdfile2.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -267,7 +267,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b6f1d3fce61..2bfbfda27fa 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a0342deb619..a6c22f3f20a 100644
--- a/sphinxman/master/api/psi4.core.fnocc.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5677c3e80e1..afec2422d39 100644
--- a/sphinxman/master/api/psi4.core.get_variable.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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
+++ b/sphinxman/master/api/psi4.core.get_writer_file_prefix.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index fa6b02b54b9..dfead31a014 100644
--- a/sphinxman/master/api/psi4.core.git_version.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.has_array_variable.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 01f42b5df73..c7e130708cc 100644
--- a/sphinxman/master/api/psi4.core.has_global_option_changed.html
+++ b/sphinxman/master/api/psi4.core.has_global_option_changed.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index f1b13c5b97d..09032779ce0 100644
--- a/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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c7035f4b469..f6be5d1b264 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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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         <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 0fbf85a95ce..cebb6f77ee5 100644
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.prepare_options_for_module.html
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.print_global_options.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4e33aa653bc..b06da060490 100644
--- a/sphinxman/master/api/psi4.core.print_out.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6a29a9bec3e..93607291ba4 100644
--- a/sphinxman/master/api/psi4.core.print_variables.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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--- a/sphinxman/master/api/psi4.core.psi_top_srcdir.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3c6a6feb5a7..a0dc6ddb660 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.core.psio_entry.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b9633c51152..dca045eb690 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 764ee3382e8..dedbb1b27ce 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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@@ -220,7 +220,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -204,7 +204,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0f79d66ea77..3482d816aee 100644
--- a/sphinxman/master/api/psi4.core.timer_on.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f25263e83b3..ef635940833 100644
--- 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7cfd4123bc5..c8c5e09ff95 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index c1de44a28ef..42fce8e1aa3 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.variable.html b/sphinxman/master/api/psi4.core.variable.html
index 94b21ef1a4c..872abaa601e 100644
--- a/sphinxman/master/api/psi4.core.variable.html
+++ b/sphinxman/master/api/psi4.core.variable.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2551bcb71db..cc422164a5d 100644
--- a/sphinxman/master/api/psi4.core.variables.html
+++ b/sphinxman/master/api/psi4.core.variables.html
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 559b5b14bb2..3a0e15fa51f 100644
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.QMMM.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 5038edea548..cd687b9793b 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -271,7 +271,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index dd6f55838e9..931f06c8950 100644
--- a/sphinxman/master/api/psi4.driver.SCFConvergenceError.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -252,7 +252,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9270d18afba..ab1ad2930f8 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -265,7 +265,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -279,7 +279,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9075a9acc5a..9b1dd597a36 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -232,7 +232,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -246,7 +246,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 5dec30a69ca..5c6799d10a5 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.ValidationError.html b/sphinxman/master/api/psi4.driver.ValidationError.html
index d854d11d01d..ca12bde2d55 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.activate.html b/sphinxman/master/api/psi4.driver.activate.html
index 99e740f6b07..ecbec583e41 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -211,7 +211,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.banner.html b/sphinxman/master/api/psi4.driver.banner.html
index 3db1d6fdaf0..943b46d08d5 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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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@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.compare_fchkfiles.html
+++ b/sphinxman/master/api/psi4.driver.compare_fchkfiles.html
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.compare_moldenfiles.html
+++ b/sphinxman/master/api/psi4.driver.compare_moldenfiles.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 f6159dc9277..6d3d871f75c 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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         <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -227,7 +227,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index e23f0bb454f..6378961fd8f 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 05b44cf3131..db0e00ed48d 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 32cc7e38df6..17decdcee5b 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index faedc674c3c..8079fe18f0b 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 721bed6cbbf..43a0ab57ed6 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -221,7 +221,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.energy.html b/sphinxman/master/api/psi4.driver.energy.html
index f735f2e14cc..49b8e44169d 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/82ce595">1.10a1.dev49</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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@@ -2782,7 +2782,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e54519ac0f5..1bd524c733c 100644
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+++ 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 22e8f140cfd..ffba6745e78 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -293,7 +293,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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+++ b/sphinxman/master/api/psi4.driver.frequency.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 59d450e6a8e..5f1ac077ced 100644
--- a/sphinxman/master/api/psi4.driver.gdma.html
+++ b/sphinxman/master/api/psi4.driver.gdma.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index fcfca7d8287..1b8bf31c86d 100644
--- a/sphinxman/master/api/psi4.driver.geometry.html
+++ b/sphinxman/master/api/psi4.driver.geometry.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0fa6cd80aef..a9e224323e1 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/api/psi4.driver.gradient.html b/sphinxman/master/api/psi4.driver.gradient.html
index 2666c01f48f..803534a987e 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -223,7 +223,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 64c254b6ded..080c0be1db6 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.hessian.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.ipi_broker.html b/sphinxman/master/api/psi4.driver.ipi_broker.html
index 637abe0235d..95aa80587f0 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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.ipi_broker.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 804c81e9a17..7fc8970d3a2 100644
--- a/sphinxman/master/api/psi4.driver.levenshtein.html
+++ b/sphinxman/master/api/psi4.driver.levenshtein.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -230,7 +230,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.libint2_print_out.html
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 22ee2702e53..92890c13cc5 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -228,7 +228,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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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@@ -233,7 +233,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index ebd81f06d4a..c01169d354c 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -267,7 +267,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -281,7 +281,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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--- a/sphinxman/master/api/psi4.driver.molecule_get_attr.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -218,7 +218,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.Gaussian.html
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 8c08e8f3ceb..113ddb38264 100644
--- a/sphinxman/master/api/psi4.driver.p4util.InPsight.html
+++ b/sphinxman/master/api/psi4.driver.p4util.InPsight.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -498,7 +498,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b4d2ed283e5..c7313438e85 100644
--- a/sphinxman/master/api/psi4.driver.p4util.Lineshape.html
+++ b/sphinxman/master/api/psi4.driver.p4util.Lineshape.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -286,7 +286,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ac8b873e68e..c1121da03c3 100644
--- a/sphinxman/master/api/psi4.driver.p4util.Lorentzian.html
+++ b/sphinxman/master/api/psi4.driver.p4util.Lorentzian.html
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+    <script src="../_static/documentation_options.js?v=c8742349"></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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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 03f13405a21..f2b7dffe8d5 100644
--- a/sphinxman/master/api/psi4.driver.p4util.OptionState.html
+++ b/sphinxman/master/api/psi4.driver.p4util.OptionState.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -255,7 +255,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 045be9d9526..3adec45ae85 100644
--- a/sphinxman/master/api/psi4.driver.p4util.OptionsState.html
+++ b/sphinxman/master/api/psi4.driver.p4util.OptionsState.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -259,7 +259,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -273,7 +273,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.OptionsStateCM.html b/sphinxman/master/api/psi4.driver.p4util.OptionsStateCM.html
index 486e1f17fe0..562e00b178f 100644
--- a/sphinxman/master/api/psi4.driver.p4util.OptionsStateCM.html
+++ b/sphinxman/master/api/psi4.driver.p4util.OptionsStateCM.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -226,7 +226,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.p4util.cg_solver.html
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 3fde9d92651..1ceb1c573ae 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f7a2164c832..3e7f78a37ed 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 d13a1e697c4..265f171313d 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 0a0fba194b7..67d95336b82 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -213,7 +213,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 246fd55eca1..0b3bdf57ac4 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
     <li><a href="http://forum.psicode.org"><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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -235,7 +235,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.expand_psivars.html b/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
index 0232f5d2862..ce0626ec879 100644
--- a/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
+++ b/sphinxman/master/api/psi4.driver.p4util.expand_psivars.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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.expand_psivars.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
     <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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -239,7 +239,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/api/psi4.driver.p4util.fcidump.html b/sphinxman/master/api/psi4.driver.p4util.fcidump.html
index 153bc02148d..2bb37f899bc 100644
--- a/sphinxman/master/api/psi4.driver.p4util.fcidump.html
+++ b/sphinxman/master/api/psi4.driver.p4util.fcidump.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -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>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.fcidump.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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-      Last updated on Thursday, 08 August 2024 07:26PM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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">'11527'</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">'11614'</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 2aec3eefaef..40ea7fb3ddc 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 581c437cd9b..c823d2284ef 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 67170cac20a..0f0ba1fdf8a 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="../index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.import_ignorecase.html b/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html
index d3df711cd9e..dd216cf619f 100644
--- a/sphinxman/master/api/psi4.driver.p4util.import_ignorecase.html
+++ b/sphinxman/master/api/psi4.driver.p4util.import_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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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.import_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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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.import_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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.kwargs_lower.html b/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html
index afc1bbb2e7a..c2073dec613 100644
--- a/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.html
+++ b/sphinxman/master/api/psi4.driver.p4util.kwargs_lower.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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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.kwargs_lower.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -217,7 +217,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/api/psi4.driver.p4util.kwargs_lower.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -231,7 +231,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.levenshtein.html b/sphinxman/master/api/psi4.driver.p4util.levenshtein.html
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 412d2a4f54e..726baddc04c 100644
--- a/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
+++ b/sphinxman/master/api/psi4.driver.p4util.plump_qcvar.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.prefactor_ecd.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prefactor_ecd.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -219,7 +219,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 01c05b89ab3..2cb309f3753 100644
--- a/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
+++ b/sphinxman/master/api/psi4.driver.p4util.prefactor_opa.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.prepare_options_for_modules.html b/sphinxman/master/api/psi4.driver.p4util.prepare_options_for_modules.html
index 42e73cfe676..03926860d78 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0e62cb4ffe3..db03eee1b00 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.provenance_stamp.html b/sphinxman/master/api/psi4.driver.p4util.provenance_stamp.html
index 6c274ceb48e..906f0c0e505 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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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@@ -234,7 +234,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -272,7 +272,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -210,7 +210,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 9bcf3ef685b..518770239bf 100644
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/api/psi4.driver.properties.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 76f71f59ca8..08e7dce248e 100644
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+++ 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -225,7 +225,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 651afae2b49..00d1e3b87a1 100644
--- a/sphinxman/master/api/psi4.driver.qcdb.vib.filter_nonvib.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -229,7 +229,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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.qcdb.vib.filter_omega_to_real.html b/sphinxman/master/api/psi4.driver.qcdb.vib.filter_omega_to_real.html
index f3fb2ff80dd..b1f143a0ebc 100644
--- a/sphinxman/master/api/psi4.driver.qcdb.vib.filter_omega_to_real.html
+++ b/sphinxman/master/api/psi4.driver.qcdb.vib.filter_omega_to_real.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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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     &#169; Copyright 2007-2024, The Psi4 Project.
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@@ -240,7 +240,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -248,7 +248,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -241,7 +241,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 0cd8c91d5ca..948d01d96ce 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ff2552a9c32..31dbdac2455 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -209,7 +209,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 79137d7e8db..fdae1791d9e 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -206,7 +206,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e325c05f85c..f1b31b4271f 100644
--- a/sphinxman/master/api/psi4.driver.set_memory.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -258,7 +258,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 6fcc1ccb418..fbb955b37f6 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</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>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index c936c898a10..25afd825615 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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
     <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>
@@ -244,7 +244,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b61aca64bc1..bc12495bb6f 100644
--- a/sphinxman/master/api/psi4.driver.tdscf.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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, 15 August 2024 09:16AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index eecfcbdb591..90be501effa 100644
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+++ b/sphinxman/master/autodir_options_c/cchbar__eom_reference.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c64efcaa00e..9e521dc1721 100644
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/cctriples__reference.html b/sphinxman/master/autodir_options_c/cctriples__reference.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 5a5c9a680bd..39ffe4e39e9 100644
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 5ac91d134bd..bc02d0acf61 100644
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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@@ -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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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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     <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">
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/cfour__cfour_geo_method.html b/sphinxman/master/autodir_options_c/cfour__cfour_geo_method.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 2b1158be8a9..9fade1dd3fb 100644
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@@ -47,7 +47,7 @@
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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>
 
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 356e8786247..79276b6471a 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_spin_orbit.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index b0fcf6ebb67..82a0f69117b 100644
--- a/sphinxman/master/autodir_options_c/cfour__cfour_zfield.html
+++ b/sphinxman/master/autodir_options_c/cfour__cfour_zfield.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 105654c308d..241f498e447 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/cphf__debug.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 696329039be..4254bd66e20 100644
--- a/sphinxman/master/autodir_options_c/cphf__df_basis_scf.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index e6a7419229a..eae43b7b397 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 4486ac92020..69cd424735b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6d95b94845d..4cf64109744 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/autodir_options_c/ddx__ddx_logfile.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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
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--- a/sphinxman/master/autodir_options_c/ddx__ddx_model.html
+++ b/sphinxman/master/autodir_options_c/ddx__ddx_model.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, 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, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 08 August 2024 07:26PM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 07:26PM.
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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.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 441b0c612d0..07654a4d63d 100644
--- a/sphinxman/master/autodir_options_c/dfocc__mp2_os_scale.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c6f28e7d018..1fd4a48371f 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 4515073f276..188fed11795 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -199,7 +199,7 @@ <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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f5ff07e4e41..d17b1fac0b2 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d5d05f188af..615a3bb94d4 100644
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index cb59445ac6d..67a5894f659 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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">
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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, 15 August 2024 09:16AM.
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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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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1f36cd47710..4c161155436 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/efp__efp_ind_damping.html b/sphinxman/master/autodir_options_c/efp__efp_ind_damping.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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>
 
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/fisapt__minao_basis.html
+++ b/sphinxman/master/autodir_options_c/fisapt__minao_basis.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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">
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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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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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     &#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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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 227f3999f47..b9e00c78e21 100644
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__favg.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__force_twocon.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__level_shift.html b/sphinxman/master/autodir_options_c/mcscf__level_shift.html
index c583c041c3e..013e4cb1df8 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -197,7 +197,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/mints__basis.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/82ce595">1.10a1.dev49</a></li>
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -580,7 +580,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -998,7 +998,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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@@ -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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -245,7 +245,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3187078f3e3..8e906300750 100644
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+++ b/sphinxman/master/autodir_options_c/module__mrcc.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -312,7 +312,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -327,7 +327,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index d99e85b5e37..79444cb5a04 100644
--- a/sphinxman/master/autodir_options_c/module__occ.html
+++ b/sphinxman/master/autodir_options_c/module__occ.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -839,7 +839,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -854,7 +854,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 1d884e2c8ed..05c951347fe 100644
--- a/sphinxman/master/autodir_options_c/module__optking.html
+++ b/sphinxman/master/autodir_options_c/module__optking.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -365,7 +365,7 @@ <h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
 <div><p>Geometry optimization coordinates to use. REDUNDANT and INTERNAL are synonyms and the default. CARTESIAN uses only cartesian coordinates. BOTH uses both redundant and cartesian coordinates.</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: REDUNDANT, INTERNAL, CARTESIAN, BOTH</p></li>
+<li><p><strong>Possible Values</strong>: REDUNDANT, INTERNAL, CARTESIAN, BOTH, CUSTOM</p></li>
 <li><p><strong>Default</strong>: INTERNAL</p></li>
 </ul>
 </div></blockquote>
@@ -477,7 +477,7 @@ <h3><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
 <div><p>Geometry optimization step type, either Newton-Raphson or Rational Function Optimization</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: RFO, P_RFO, NR, SD, LINESEARCH</p></li>
+<li><p><strong>Possible Values</strong>: RFO, RS_I_RFO, P_RFO, NR, SD, LINESEARCH</p></li>
 <li><p><strong>Default</strong>: RFO</p></li>
 </ul>
 </div></blockquote>
@@ -1055,7 +1055,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><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/module__optking.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -1070,7 +1070,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 6f4a9f8b884..a365b54c153 100644
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+++ b/sphinxman/master/autodir_options_c/module__pcm.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -248,7 +248,7 @@ <h3>Navigation</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -263,7 +263,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index dc75d2e0e51..1c92d9f2a38 100644
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+++ b/sphinxman/master/autodir_options_c/module__pe.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -419,7 +419,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -434,7 +434,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/module__psimrcc.html b/sphinxman/master/autodir_options_c/module__psimrcc.html
index 014c7b44ccb..08039f5eec4 100644
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+++ b/sphinxman/master/autodir_options_c/module__psimrcc.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -636,7 +636,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -788,7 +788,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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>
 
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__mo_write.html
+++ b/sphinxman/master/autodir_options_c/occ__mo_write.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/autodir_options_c/occ__mp2_os_scale.html b/sphinxman/master/autodir_options_c/occ__mp2_os_scale.html
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--- a/sphinxman/master/autodir_options_c/occ__mp2_os_scale.html
+++ b/sphinxman/master/autodir_options_c/occ__mp2_os_scale.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/occ__mp2_sos_scale2.html b/sphinxman/master/autodir_options_c/occ__mp2_sos_scale2.html
index 7410420d75c..00e71309895 100644
--- a/sphinxman/master/autodir_options_c/occ__mp2_sos_scale2.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -215,7 +215,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -128,7 +128,7 @@ <h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
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 <li><p><strong>Default</strong>: INTERNAL</p></li>
 </ul>
 </div></blockquote>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +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/optking__rsrfo_alpha_max.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/optking__rsrfo_alpha_max.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/optking__save_optimization.html b/sphinxman/master/autodir_options_c/optking__save_optimization.html
index 8e2a7c6b3ce..69aceec2b11 100644
--- a/sphinxman/master/autodir_options_c/optking__save_optimization.html
+++ b/sphinxman/master/autodir_options_c/optking__save_optimization.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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/optking__save_optimization.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/optking__save_optimization.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/optking__step_type.html b/sphinxman/master/autodir_options_c/optking__step_type.html
index 3351f54883e..8482f8433fa 100644
--- a/sphinxman/master/autodir_options_c/optking__step_type.html
+++ b/sphinxman/master/autodir_options_c/optking__step_type.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/optking__step_type.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -128,7 +128,7 @@ <h1><a class="reference internal" href="../autodoc_glossary_options_c.html#term-
 <div><p>Geometry optimization step type, either Newton-Raphson or Rational Function Optimization</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: RFO, P_RFO, NR, SD, LINESEARCH</p></li>
+<li><p><strong>Possible Values</strong>: RFO, RS_I_RFO, P_RFO, NR, SD, LINESEARCH</p></li>
 <li><p><strong>Default</strong>: RFO</p></li>
 </ul>
 </div></blockquote>
@@ -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/optking__step_type.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/optking__test_b.html b/sphinxman/master/autodir_options_c/optking__test_b.html
index 32e2bb0a7a6..d803d7865b9 100644
--- a/sphinxman/master/autodir_options_c/optking__test_b.html
+++ b/sphinxman/master/autodir_options_c/optking__test_b.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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/optking__test_b.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/optking__test_b.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/optking__test_derivative_b.html b/sphinxman/master/autodir_options_c/optking__test_derivative_b.html
index b7b2a4c41ea..5c01a4c52e5 100644
--- a/sphinxman/master/autodir_options_c/optking__test_derivative_b.html
+++ b/sphinxman/master/autodir_options_c/optking__test_derivative_b.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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/optking__test_derivative_b.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/optking__test_derivative_b.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/optking__write_opt_history.html b/sphinxman/master/autodir_options_c/optking__write_opt_history.html
index 1cca2797b30..ad5ad747ca5 100644
--- a/sphinxman/master/autodir_options_c/optking__write_opt_history.html
+++ b/sphinxman/master/autodir_options_c/optking__write_opt_history.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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/optking__write_opt_history.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/optking__write_opt_history.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/optking__write_opt_result.html b/sphinxman/master/autodir_options_c/optking__write_opt_result.html
index 99b47abf83c..36972de6fc5 100644
--- a/sphinxman/master/autodir_options_c/optking__write_opt_result.html
+++ b/sphinxman/master/autodir_options_c/optking__write_opt_result.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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/optking__write_opt_result.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/autodir_options_c/psimrcc__follow_root.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index a5d2ab337c1..ff78e3694c6 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -199,7 +199,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a4ccd4320ba..c8658bd8871 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0ec9e25103c..435d831fb16 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index d6e90d463d0..c8abc2f1061 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 0212a5965b4..5482db472a6 100644
--- a/sphinxman/master/autodir_options_c/sapt__do_mbpt_disp.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index bc4d4ef99aa..497252aca61 100644
--- a/sphinxman/master/autodir_options_c/sapt__do_third_order.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 0932860e280..c9aab442ce9 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2948a360af6..885e8847ce9 100644
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 9c452d43e2f..4f385a8be8f 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 659f4aa4d42..0797060b65e 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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>
@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -198,7 +198,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/autodir_options_c/scf__dft_pruning_scheme.html b/sphinxman/master/autodir_options_c/scf__dft_pruning_scheme.html
index bd5f8170712..a5f281ee0df 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 2fe90e7bdca..cabd17ecfdf 100644
--- a/sphinxman/master/autodir_options_c/scf__diis.html
+++ b/sphinxman/master/autodir_options_c/scf__diis.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 45f02518a2a..1bae8bfaef1 100644
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__mom_occ.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 817cb1e96fa..8307c1bd5b2 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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--- a/sphinxman/master/autodir_options_c/scf__r_points.html
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 54c913655ae..dc48d8210f8 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__s_orthogonalization.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodir_options_c/scf__s_tolerance.html b/sphinxman/master/autodir_options_c/scf__s_tolerance.html
index 59f882f4597..b6a41b3aa7a 100644
--- a/sphinxman/master/autodir_options_c/scf__s_tolerance.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__sapt.html
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 1fadf432c2a..3d7ee60622b 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 3289fa62e9a..f6b0cb95ed7 100644
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 68cb1b894b2..f3f196ca1dc 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__scf_properties.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -199,7 +199,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8451d5f222f..fe716597d33 100644
--- a/sphinxman/master/autodir_options_c/scf__solver_convergence.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -47,7 +47,7 @@
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+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>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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         <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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index b4717658b86..8d8e9691d5d 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index a2f11d009d9..f8801b5e0b4 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -214,7 +214,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d315c619e32..91c9c7b9cc7 100644
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__theta_points.html
@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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__thickness.html
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@@ -47,7 +47,7 @@
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -216,7 +216,7 @@ <h3>Navigation</h3>
 
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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@@ -293,7 +293,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -238,7 +238,7 @@ <h3>Navigation</h3>
 
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -321,7 +321,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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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@@ -213,7 +213,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="../_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="../_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="../_static/documentation_options.js?v=c8742349"></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, 15 August 2024 09:16AM.
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@@ -886,7 +886,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="_static/documentation_options.js?v=c8742349"></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, 15 August 2024 09:16AM.
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -3590,7 +3590,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -2129,7 +2129,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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@@ -1300,7 +1300,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodoc_glossary_options_c.html b/sphinxman/master/autodoc_glossary_options_c.html
index fc7cd2d941d..841bb24bf5a 100644
--- a/sphinxman/master/autodoc_glossary_options_c.html
+++ b/sphinxman/master/autodoc_glossary_options_c.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/autodoc_glossary_options_c.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -5530,7 +5530,7 @@ <h3>Navigation</h3>
 <dt id="term-OPT_COORDINATES-OPTKING">OPT_COORDINATES (OPTKING)<a class="headerlink" href="#term-OPT_COORDINATES-OPTKING" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__optking.html#apdx-optking"><span class="std std-ref">OPTKING</span></a> — Geometry optimization coordinates to use. REDUNDANT and INTERNAL are synonyms and the default. CARTESIAN uses only cartesian coordinates. BOTH uses both redundant and cartesian coordinates.</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: REDUNDANT, INTERNAL, CARTESIAN, BOTH</p></li>
+<li><p><strong>Possible Values</strong>: REDUNDANT, INTERNAL, CARTESIAN, BOTH, CUSTOM</p></li>
 <li><p><strong>Default</strong>: INTERNAL</p></li>
 </ul>
 </dd>
@@ -7107,7 +7107,7 @@ <h3>Navigation</h3>
 <dt id="term-STEP_TYPE-OPTKING">STEP_TYPE (OPTKING)<a class="headerlink" href="#term-STEP_TYPE-OPTKING" title="Link to this term">¶</a></dt><dd><p><a class="reference internal" href="autodir_options_c/module__optking.html#apdx-optking"><span class="std std-ref">OPTKING</span></a> — Geometry optimization step type, either Newton-Raphson or Rational Function Optimization</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: RFO, P_RFO, NR, SD, LINESEARCH</p></li>
+<li><p><strong>Possible Values</strong>: RFO, RS_I_RFO, P_RFO, NR, SD, LINESEARCH</p></li>
 <li><p><strong>Default</strong>: RFO</p></li>
 </ul>
 </dd>
@@ -7670,7 +7670,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodoc_glossary_options_c.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -7684,7 +7684,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodoc_options_c_bymodule.html b/sphinxman/master/autodoc_options_c_bymodule.html
index 326af515902..a28f7f8397f 100644
--- a/sphinxman/master/autodoc_options_c_bymodule.html
+++ b/sphinxman/master/autodoc_options_c_bymodule.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/autodoc_options_c_bymodule.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodoc_options_c_bymodule.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodoc_physconst.html b/sphinxman/master/autodoc_physconst.html
index 8ae3ef4a672..1aec445872e 100644
--- a/sphinxman/master/autodoc_physconst.html
+++ b/sphinxman/master/autodoc_physconst.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/autodoc_physconst.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -1648,7 +1648,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodoc_physconst.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -1662,7 +1662,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodoc_psi4bases.html b/sphinxman/master/autodoc_psi4bases.html
index a5301a21bd2..8c4c22cac37 100644
--- a/sphinxman/master/autodoc_psi4bases.html
+++ b/sphinxman/master/autodoc_psi4bases.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/autodoc_psi4bases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -41378,7 +41378,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodoc_psi4bases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -41393,7 +41393,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodoc_psifiles.html b/sphinxman/master/autodoc_psifiles.html
index 1968aa3522b..c6e296682e2 100644
--- a/sphinxman/master/autodoc_psifiles.html
+++ b/sphinxman/master/autodoc_psifiles.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/autodoc_psifiles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -944,7 +944,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/autodoc_psifiles.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -958,7 +958,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/autodoc_psivariables_bymodule.html b/sphinxman/master/autodoc_psivariables_bymodule.html
index a85b883cd7a..8bda53415ae 100644
--- a/sphinxman/master/autodoc_psivariables_bymodule.html
+++ b/sphinxman/master/autodoc_psivariables_bymodule.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/autodoc_psivariables_bymodule.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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/autodoc_psivariables_bymodule.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -236,7 +236,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
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index 3ebcfa812eb..771384117af 100644
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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=c8742349"></script>
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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, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -263,6 +263,11 @@ <h3>Navigation</h3>
 <p>Bofill,
 <em>J. Comp. Chem.</em> <strong>15</strong>, 1-11 (1994).</p>
 </div>
+<div class="citation" id="besalu-1998-265" role="doc-biblioentry">
+<span class="label"><span class="fn-bracket">[</span>Besalu:1998:265<span class="fn-bracket">]</span></span>
+<p>Besalú, E., Bofill, J.,
+<em>Theor Chem Acc</em> <strong>100</strong>, 265–274 (1998)</p>
+</div>
 <div class="citation" id="piecuch-1999-6103" role="doc-biblioentry">
 <span class="label"><span class="fn-bracket">[</span>Piecuch:1999:6103<span class="fn-bracket">]</span></span>
 <p>P. Piecuch, S. A. Kicharski, and R. J. Bartlett,
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index b20cb65e7d7..4e2ce15e63a 100644
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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@@ -47,7 +47,7 @@
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+    <script src="_static/documentation_options.js?v=c8742349"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -665,7 +665,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index cf8ad071c87..7c8e85c0e3c 100644
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -531,7 +531,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 21bb58a6347..73429ac2ca3 100644
--- a/sphinxman/master/customizing.html
+++ b/sphinxman/master/customizing.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6d53b77d741..8781bd1ad29 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -1180,7 +1180,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a6517dd5302..07a47cf809b 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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@@ -519,7 +519,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 60d7a9eb9e1..f72aeece7df 100644
--- a/sphinxman/master/ddx.html
+++ b/sphinxman/master/ddx.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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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@@ -674,7 +674,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index c79f9a41765..1b0ff3349d5 100644
--- a/sphinxman/master/detci.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -608,7 +608,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/dfmp2.html b/sphinxman/master/dfmp2.html
index b7043d78178..a8ce9d0d342 100644
--- a/sphinxman/master/dfmp2.html
+++ b/sphinxman/master/dfmp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -529,7 +529,7 @@ <h3>Navigation</h3>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -543,7 +543,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index a7a658488cf..3aa34b4dbd9 100644
--- a/sphinxman/master/dft.html
+++ b/sphinxman/master/dft.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/dft_byfunctional.html
+++ b/sphinxman/master/dft_byfunctional.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -17790,7 +17790,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1ebae854f0d..96110b56678 100644
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+++ b/sphinxman/master/dftd3.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -972,7 +972,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a79939d00d1..ea35b9187e8 100644
--- a/sphinxman/master/dftnl.html
+++ b/sphinxman/master/dftnl.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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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@@ -229,7 +229,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -243,7 +243,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7a7ca4f3cc6..bf8079736ee 100644
--- a/sphinxman/master/diatomic.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7c4e4beabd4..e3e76a7e95b 100644
--- a/sphinxman/master/dkh.html
+++ b/sphinxman/master/dkh.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -349,7 +349,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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diff --git a/sphinxman/master/dlpnomp2.html b/sphinxman/master/dlpnomp2.html
index 16219c702c5..bd9c6a8b5df 100644
--- a/sphinxman/master/dlpnomp2.html
+++ b/sphinxman/master/dlpnomp2.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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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@@ -344,7 +344,7 @@ <h3>Navigation</h3>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 7b513162bc7..52b76ec609a 100644
--- a/sphinxman/master/documentation.html
+++ b/sphinxman/master/documentation.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2a5d3947535..2309487d20b 100644
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index e6fcc958a8f..f7c6ea97f69 100644
--- a/sphinxman/master/energy.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -2779,7 +2779,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/external.html b/sphinxman/master/external.html
index ebb771f32cf..a3b4ce2db6d 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/external_apis.html b/sphinxman/master/external_apis.html
index 86b0be4e36b..528737257d0 100644
--- a/sphinxman/master/external_apis.html
+++ b/sphinxman/master/external_apis.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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@@ -98,7 +98,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/fchk.html b/sphinxman/master/fchk.html
index 80f4f8fbf98..0ebf847fed8 100644
--- a/sphinxman/master/fchk.html
+++ b/sphinxman/master/fchk.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -273,7 +273,7 @@ <h3>Navigation</h3>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/fisapt.html b/sphinxman/master/fisapt.html
index 1704a0b9148..29bf86b8e3c 100644
--- a/sphinxman/master/fisapt.html
+++ b/sphinxman/master/fisapt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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>
@@ -626,7 +626,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -640,7 +640,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dff7bd04180..b23c0201688 100644
--- a/sphinxman/master/freq.html
+++ b/sphinxman/master/freq.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index b42f4cbbc7c..e780988af21 100644
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 78a27004045..b4b051c3cc3 100644
--- a/sphinxman/master/gdma.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/genindex.html
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@@ -46,7 +46,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -92,7 +92,7 @@ <h3>Navigation</h3>
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@@ -10066,7 +10066,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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diff --git a/sphinxman/master/glossary_psivariables.html b/sphinxman/master/glossary_psivariables.html
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--- a/sphinxman/master/glossary_psivariables.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -3178,7 +3178,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 2ce6902eb8d..2b7bdac36f6 100644
--- a/sphinxman/master/index.html
+++ b/sphinxman/master/index.html
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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--- a/sphinxman/master/index_tutorials.html
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 9405b2c61b3..4b750f17eaa 100644
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 6802389243f..d34e90f5fce 100644
--- a/sphinxman/master/interfacing.html
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -361,7 +361,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index d2fa825d556..8ccc6aa726a 100644
--- a/sphinxman/master/introduction.html
+++ b/sphinxman/master/introduction.html
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -2877,7 +2877,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3d6461ac1ed..6b54ffcc4fd 100644
--- a/sphinxman/master/libefp.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 6c33ff0cdaf..b67a8555700 100644
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@@ -47,7 +47,7 @@
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f859dce831d..d72a17f4d9a 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -298,7 +298,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 172077e1730..ac0955362c6 100644
--- a/sphinxman/master/manage_addon.html
+++ b/sphinxman/master/manage_addon.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index dc5d3f48c36..f5595279575 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -538,7 +538,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/manage_index.html b/sphinxman/master/manage_index.html
index deb982c8d8e..5b95851684e 100644
--- a/sphinxman/master/manage_index.html
+++ b/sphinxman/master/manage_index.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index f98e811d08d..454692f79b0 100644
--- a/sphinxman/master/manage_release.html
+++ b/sphinxman/master/manage_release.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -866,7 +866,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1bb7fe64819..23a3a81f4aa 100644
--- a/sphinxman/master/mcscf.html
+++ b/sphinxman/master/mcscf.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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>
@@ -362,7 +362,7 @@ <h3>Navigation</h3>
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@@ -376,7 +376,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/methods.html b/sphinxman/master/methods.html
index 2ba7497ed30..ad3be5f834e 100644
--- a/sphinxman/master/methods.html
+++ b/sphinxman/master/methods.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -366,7 +366,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -380,7 +380,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/objects.inv b/sphinxman/master/objects.inv
index 98e412e859c..0f0954b2446 100644
Binary files a/sphinxman/master/objects.inv and b/sphinxman/master/objects.inv differ
diff --git a/sphinxman/master/occ.html b/sphinxman/master/occ.html
index a73dc37fd9a..76371077f74 100644
--- a/sphinxman/master/occ.html
+++ b/sphinxman/master/occ.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -1668,7 +1668,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -1682,7 +1682,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/oeprop.html b/sphinxman/master/oeprop.html
index dd4836d7974..bc01d700fcc 100644
--- a/sphinxman/master/oeprop.html
+++ b/sphinxman/master/oeprop.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -398,7 +398,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -412,7 +412,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/opt.html b/sphinxman/master/opt.html
index 043c1f77a1d..b903ea62af4 100644
--- a/sphinxman/master/opt.html
+++ b/sphinxman/master/opt.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -1563,7 +1563,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -1577,7 +1577,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/optionshandling.html b/sphinxman/master/optionshandling.html
index 3d9f6129a73..a0071e63416 100644
--- a/sphinxman/master/optionshandling.html
+++ b/sphinxman/master/optionshandling.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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@@ -458,7 +458,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
     <li class="nav-item nav-item-0"><a href="index.html">
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/optking.html b/sphinxman/master/optking.html
index 8afdd4d6c54..684ec5dde4e 100644
--- a/sphinxman/master/optking.html
+++ b/sphinxman/master/optking.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/optking.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -175,7 +175,7 @@ <h3><a class="reference internal" href="autodoc_glossary_options_c.html#term-STE
 <div><p>Geometry optimization step type, either Newton-Raphson or Rational Function Optimization</p>
 <ul class="simple">
 <li><p><strong>Type</strong>: string</p></li>
-<li><p><strong>Possible Values</strong>: RFO, P_RFO, NR, SD, LINESEARCH</p></li>
+<li><p><strong>Possible Values</strong>: RFO, RS_I_RFO, P_RFO, NR, SD, LINESEARCH</p></li>
 <li><p><strong>Default</strong>: RFO</p></li>
 </ul>
 </div></blockquote>
@@ -286,6 +286,9 @@ <h2>Hessian<a class="headerlink" href="#hessian" title="Link to this heading">¶
 </section>
 <section id="transition-states-and-reaction-paths">
 <span id="index-2"></span><h2>Transition States and Reaction Paths<a class="headerlink" href="#transition-states-and-reaction-paths" title="Link to this heading">¶</a></h2>
+<p>Optking currently has two transition state algorithms. The current default is the
+newer RS_I_RFO algorithm <a class="reference internal" href="bibliography.html#besalu-1998-265" id="id7"><span>[Besalu:1998:265]</span></a> . The old algorithm can be used by setting
+<cite>STEP_TYPE P_RFO</cite> for <cite>OPT_TYPE TS</cite></p>
 <ul>
 <li><p>Calculate a starting Hessian and optimize the “transition state” of
 linear water (note that without a reasonable starting geometry and
@@ -605,8 +608,8 @@ <h2>Multi-Fragment Optimizations<a class="headerlink" href="#multi-fragment-opti
 <a class="reference internal" href="#table-dimerfrag"><span class="std std-ref">Dimer coordinate table</span></a>.
 The interfragment coordinates are named and can be frozen according to their names as show in
 example below. For specifying reference points, use 1 based indexing.</p>
-<span id="table-dimerfrag"></span><table class="docutils align-default" id="id24">
-<caption><span class="caption-text">Dimer coordinates</span><a class="headerlink" href="#id24" title="Link to this table">¶</a></caption>
+<span id="table-dimerfrag"></span><table class="docutils align-default" id="id25">
+<caption><span class="caption-text">Dimer coordinates</span><a class="headerlink" href="#id25" title="Link to this table">¶</a></caption>
 <thead>
 <tr class="row-odd"><th class="head"><p>name</p></th>
 <th class="head"><p>type</p></th>
@@ -767,8 +770,8 @@ <h2>Dealing with problematic optimizations<a class="headerlink" href="#dealing-w
 <div class="line"><br /></div>
 <div class="line"><br /></div>
 </div>
-<span id="table-optkingconv"></span><table class="docutils align-default" id="id25">
-<caption><span class="caption-text">Summary of sets of geometry optimization criteria available in <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span></span><a class="headerlink" href="#id25" title="Link to this table">¶</a></caption>
+<span id="table-optkingconv"></span><table class="docutils align-default" id="id26">
+<caption><span class="caption-text">Summary of sets of geometry optimization criteria available in <span style="font-family: Optima, sans-serif; text-transform: none;">P<span style="font-size: 82%;">SI</span>4</span></span><a class="headerlink" href="#id26" title="Link to this table">¶</a></caption>
 <thead>
 <tr class="row-odd"><th class="head"><p><a class="reference internal" href="autodoc_glossary_options_c.html#term-G_CONVERGENCE-OPTKING"><span class="xref std std-term">G_CONVERGENCE</span></a></p></th>
 <th class="head"><p>Max Energy</p></th>
@@ -779,70 +782,70 @@ <h2>Dealing with problematic optimizations<a class="headerlink" href="#dealing-w
 </tr>
 </thead>
 <tbody>
-<tr class="row-even"><td><p>NWCHEM_LOOSE <a class="footnote-reference brackets" href="#fd" id="id7" role="doc-noteref"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-even"><td><p>NWCHEM_LOOSE <a class="footnote-reference brackets" href="#fd" id="id8" role="doc-noteref"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></a></p></td>
 <td></td>
 <td><p><span class="math notranslate nohighlight">\(4.5 \times 10^{-3}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(3.0 \times 10^{-3}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(5.4 \times 10^{-3}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(3.6 \times 10^{-3}\)</span></p></td>
 </tr>
-<tr class="row-odd"><td><p>GAU_LOOSE <a class="footnote-reference brackets" href="#ff" id="id8" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-odd"><td><p>GAU_LOOSE <a class="footnote-reference brackets" href="#ff" id="id9" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></td>
 <td></td>
 <td><p><span class="math notranslate nohighlight">\(2.5 \times 10^{-3}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.7 \times 10^{-3}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-2}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(6.7 \times 10^{-3}\)</span></p></td>
 </tr>
-<tr class="row-even"><td><p>TURBOMOLE <a class="footnote-reference brackets" href="#fd" id="id9" role="doc-noteref"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-even"><td><p>TURBOMOLE <a class="footnote-reference brackets" href="#fd" id="id10" role="doc-noteref"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></a></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-6}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-3}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(5.0 \times 10^{-4}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-3}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(5.0 \times 10^{-4}\)</span></p></td>
 </tr>
-<tr class="row-odd"><td><p>GAU <a class="footnote-reference brackets" href="#fc" id="id10" role="doc-noteref"><span class="fn-bracket">[</span>3<span class="fn-bracket">]</span></a> <a class="footnote-reference brackets" href="#ff" id="id11" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-odd"><td><p>GAU <a class="footnote-reference brackets" href="#fc" id="id11" role="doc-noteref"><span class="fn-bracket">[</span>3<span class="fn-bracket">]</span></a> <a class="footnote-reference brackets" href="#ff" id="id12" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></td>
 <td></td>
 <td><p><span class="math notranslate nohighlight">\(4.5 \times 10^{-4}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(3.0 \times 10^{-4}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.8 \times 10^{-3}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.2 \times 10^{-3}\)</span></p></td>
 </tr>
-<tr class="row-even"><td><p>CFOUR <a class="footnote-reference brackets" href="#fd" id="id12" role="doc-noteref"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-even"><td><p>CFOUR <a class="footnote-reference brackets" href="#fd" id="id13" role="doc-noteref"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></a></p></td>
 <td></td>
 <td></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-4}\)</span></p></td>
 <td></td>
 <td></td>
 </tr>
-<tr class="row-odd"><td><p>QCHEM <a class="footnote-reference brackets" href="#fa" id="id13" role="doc-noteref"><span class="fn-bracket">[</span>1<span class="fn-bracket">]</span></a> <a class="footnote-reference brackets" href="#fe" id="id14" role="doc-noteref"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-odd"><td><p>QCHEM <a class="footnote-reference brackets" href="#fa" id="id14" role="doc-noteref"><span class="fn-bracket">[</span>1<span class="fn-bracket">]</span></a> <a class="footnote-reference brackets" href="#fe" id="id15" role="doc-noteref"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></a></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-6}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(3.0 \times 10^{-4}\)</span></p></td>
 <td></td>
 <td><p><span class="math notranslate nohighlight">\(1.2 \times 10^{-3}\)</span></p></td>
 <td></td>
 </tr>
-<tr class="row-even"><td><p>MOLPRO <a class="footnote-reference brackets" href="#fb" id="id15" role="doc-noteref"><span class="fn-bracket">[</span>2<span class="fn-bracket">]</span></a> <a class="footnote-reference brackets" href="#fe" id="id16" role="doc-noteref"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-even"><td><p>MOLPRO <a class="footnote-reference brackets" href="#fb" id="id16" role="doc-noteref"><span class="fn-bracket">[</span>2<span class="fn-bracket">]</span></a> <a class="footnote-reference brackets" href="#fe" id="id17" role="doc-noteref"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></a></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-6}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(3.0 \times 10^{-4}\)</span></p></td>
 <td></td>
 <td><p><span class="math notranslate nohighlight">\(3.0 \times 10^{-4}\)</span></p></td>
 <td></td>
 </tr>
-<tr class="row-odd"><td><p>INTERFRAG_TIGHT <a class="footnote-reference brackets" href="#fg" id="id17" role="doc-noteref"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-odd"><td><p>INTERFRAG_TIGHT <a class="footnote-reference brackets" href="#fg" id="id18" role="doc-noteref"><span class="fn-bracket">[</span>7<span class="fn-bracket">]</span></a></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-6}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.5 \times 10^{-5}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-5}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(6.0 \times 10^{-4}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(4.0 \times 10^{-4}\)</span></p></td>
 </tr>
-<tr class="row-even"><td><p>GAU_TIGHT <a class="footnote-reference brackets" href="#fc" id="id18" role="doc-noteref"><span class="fn-bracket">[</span>3<span class="fn-bracket">]</span></a> <a class="footnote-reference brackets" href="#ff" id="id19" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-even"><td><p>GAU_TIGHT <a class="footnote-reference brackets" href="#fc" id="id19" role="doc-noteref"><span class="fn-bracket">[</span>3<span class="fn-bracket">]</span></a> <a class="footnote-reference brackets" href="#ff" id="id20" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></td>
 <td></td>
 <td><p><span class="math notranslate nohighlight">\(1.5 \times 10^{-5}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-5}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(6.0 \times 10^{-5}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(4.0 \times 10^{-5}\)</span></p></td>
 </tr>
-<tr class="row-odd"><td><p>GAU_VERYTIGHT <a class="footnote-reference brackets" href="#ff" id="id20" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></td>
+<tr class="row-odd"><td><p>GAU_VERYTIGHT <a class="footnote-reference brackets" href="#ff" id="id21" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a></p></td>
 <td></td>
 <td><p><span class="math notranslate nohighlight">\(2.0 \times 10^{-6}\)</span></p></td>
 <td><p><span class="math notranslate nohighlight">\(1.0 \times 10^{-6}\)</span></p></td>
@@ -854,38 +857,38 @@ <h2>Dealing with problematic optimizations<a class="headerlink" href="#dealing-w
 <p class="rubric">Footnotes</p>
 <aside class="footnote-list brackets">
 <aside class="footnote brackets" id="fa" role="doc-footnote">
-<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id13">1</a><span class="fn-bracket">]</span></span>
+<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id14">1</a><span class="fn-bracket">]</span></span>
 <p>Default</p>
 </aside>
 <aside class="footnote brackets" id="fb" role="doc-footnote">
-<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id15">2</a><span class="fn-bracket">]</span></span>
+<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id16">2</a><span class="fn-bracket">]</span></span>
 <p>Baker convergence criteria are the same.</p>
 </aside>
 <aside class="footnote brackets" id="fc" role="doc-footnote">
 <span class="label"><span class="fn-bracket">[</span>3<span class="fn-bracket">]</span></span>
-<span class="backrefs">(<a role="doc-backlink" href="#id10">1</a>,<a role="doc-backlink" href="#id18">2</a>)</span>
+<span class="backrefs">(<a role="doc-backlink" href="#id11">1</a>,<a role="doc-backlink" href="#id19">2</a>)</span>
 <p>Counterpart NWCHEM convergence criteria are the same.</p>
 </aside>
 <aside class="footnote brackets" id="fd" role="doc-footnote">
 <span class="label"><span class="fn-bracket">[</span>4<span class="fn-bracket">]</span></span>
-<span class="backrefs">(<a role="doc-backlink" href="#id7">1</a>,<a role="doc-backlink" href="#id9">2</a>,<a role="doc-backlink" href="#id12">3</a>)</span>
+<span class="backrefs">(<a role="doc-backlink" href="#id8">1</a>,<a role="doc-backlink" href="#id10">2</a>,<a role="doc-backlink" href="#id13">3</a>)</span>
 <p>Convergence achieved when all active criteria are fulfilled.</p>
 </aside>
 <aside class="footnote brackets" id="fe" role="doc-footnote">
 <span class="label"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></span>
-<span class="backrefs">(<a role="doc-backlink" href="#id14">1</a>,<a role="doc-backlink" href="#id16">2</a>,<a role="doc-backlink" href="#id21">3</a>)</span>
+<span class="backrefs">(<a role="doc-backlink" href="#id15">1</a>,<a role="doc-backlink" href="#id17">2</a>,<a role="doc-backlink" href="#id22">3</a>)</span>
 <p>Convergence achieved when <strong>Max Force</strong> and one of <strong>Max Energy</strong> or <strong>Max Disp</strong> are fulfilled.</p>
 </aside>
 <aside class="footnote brackets" id="ff" role="doc-footnote">
 <span class="label"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></span>
-<span class="backrefs">(<a role="doc-backlink" href="#id8">1</a>,<a role="doc-backlink" href="#id11">2</a>,<a role="doc-backlink" href="#id19">3</a>,<a role="doc-backlink" href="#id20">4</a>,<a role="doc-backlink" href="#id22">5</a>)</span>
+<span class="backrefs">(<a role="doc-backlink" href="#id9">1</a>,<a role="doc-backlink" href="#id12">2</a>,<a role="doc-backlink" href="#id20">3</a>,<a role="doc-backlink" href="#id21">4</a>,<a role="doc-backlink" href="#id23">5</a>)</span>
 <p>Normal convergence achieved when all four criteria (<strong>Max Force</strong>, <strong>RMS Force</strong>,
 <strong>Max Disp</strong>, and <strong>RMS Disp</strong>) are fulfilled. To help with flat
 potential surfaces, alternate convergence achieved when 100<span class="math notranslate nohighlight">\(\times\)</span><em>rms force</em> is less
 than <strong>RMS Force</strong> criterion.</p>
 </aside>
 <aside class="footnote brackets" id="fg" role="doc-footnote">
-<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id17">7</a><span class="fn-bracket">]</span></span>
+<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id18">7</a><span class="fn-bracket">]</span></span>
 <p>Compensates for difficulties in converging geometry optmizations of supermolecular complexes
 tightly, where large <em>rms disp</em> and <em>max disp</em> may result from flat potential surfaces even when
 <em>max force</em> and/or <em>rms force</em> are small.</p>
@@ -893,13 +896,13 @@ <h2>Dealing with problematic optimizations<a class="headerlink" href="#dealing-w
 </aside>
 <p>For ultimate control, specifying a value for any of the five monitored options activates that
 criterium and overwrites/appends it to the criteria set by <a class="reference internal" href="autodoc_glossary_options_c.html#term-G_CONVERGENCE-OPTKING"><span class="xref std std-term">G_CONVERGENCE</span></a>.
-Note that this revokes the special convergence arrangements detailed in notes <a class="footnote-reference brackets" href="#fe" id="id21" role="doc-noteref"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></a> and <a class="footnote-reference brackets" href="#ff" id="id22" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a>
+Note that this revokes the special convergence arrangements detailed in notes <a class="footnote-reference brackets" href="#fe" id="id22" role="doc-noteref"><span class="fn-bracket">[</span>5<span class="fn-bracket">]</span></a> and <a class="footnote-reference brackets" href="#ff" id="id23" role="doc-noteref"><span class="fn-bracket">[</span>6<span class="fn-bracket">]</span></a>
 and instead requires all active criteria to be fulfilled to
 achieve convergence. To avoid this revokation, turn on keyword <a class="reference internal" href="autodoc_glossary_options_c.html#term-FLEXIBLE_G_CONVERGENCE-OPTKING"><span class="xref std std-term">FLEXIBLE_G_CONVERGENCE</span></a>.</p>
 </section>
 <section id="interface-to-geometric">
 <span id="index-4"></span><h2>Interface to GeomeTRIC<a class="headerlink" href="#interface-to-geometric" title="Link to this heading">¶</a></h2>
-<p>The GeomeTRIC optimizer developed by Wang and Song <a class="reference internal" href="bibliography.html#wang-2016-214108" id="id23"><span>[Wang:2016:214108]</span></a> may be used in place of
+<p>The GeomeTRIC optimizer developed by Wang and Song <a class="reference internal" href="bibliography.html#wang-2016-214108" id="id24"><span>[Wang:2016:214108]</span></a> may be used in place of
 Psi4’s native Optking optimizer. GeomeTRIC uses a translation-rotation-internal coordinate (TRIC)
 system that works well for optimizing geometries of systems containing noncovalent interactions.</p>
 <p>Use of the GeomeTRIC optimizer is specified with the <code class="docutils literal notranslate"><span class="pre">engine</span></code> argument to
@@ -1120,7 +1123,7 @@ <h3>Navigation</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/82ce595">1.10a1.dev49</a></li>
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diff --git a/sphinxman/master/pcmsolver.html b/sphinxman/master/pcmsolver.html
index 2b7c489369d..2f12602b80e 100644
--- a/sphinxman/master/pcmsolver.html
+++ b/sphinxman/master/pcmsolver.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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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@@ -411,7 +411,7 @@ <h3>Navigation</h3>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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diff --git a/sphinxman/master/pep0001.html b/sphinxman/master/pep0001.html
index c9be24acbeb..b0710dd63aa 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=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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diff --git a/sphinxman/master/plugin_psi4fockci.html b/sphinxman/master/plugin_psi4fockci.html
index cb3426771e7..a832efe6aee 100644
--- a/sphinxman/master/plugin_psi4fockci.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 0056c107e4a..fdf41304003 100644
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@@ -47,7 +47,7 @@
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@@ -282,7 +282,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index e24a26474c2..867cc115f1f 100644
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 1c68044b4f2..b690f7f3333 100644
--- a/sphinxman/master/prog_blas.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 27f58348ae0..6dc93376f80 100644
--- a/sphinxman/master/prog_conduct.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -102,7 +102,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index d641d9b55bf..a824c64c345 100644
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+++ b/sphinxman/master/prog_corelibs.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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
+++ b/sphinxman/master/prog_debug_profile.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -221,7 +221,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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index 54e723a610c..a066ce98cf7 100644
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index ad3259b4dc8..e6bb02aa83c 100644
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+++ b/sphinxman/master/prog_full_integration.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 51e4085c8ae..1d083a2e088 100644
--- a/sphinxman/master/prog_help.html
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@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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>
@@ -216,7 +216,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 128df29ad2e..b68ac884bfe 100644
--- a/sphinxman/master/prog_integrals.html
+++ b/sphinxman/master/prog_integrals.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -666,7 +666,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_intro.html b/sphinxman/master/prog_intro.html
index 2494cce4d5d..0db165fad6e 100644
--- a/sphinxman/master/prog_intro.html
+++ b/sphinxman/master/prog_intro.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 2b18c80b359..98720e4d1a9 100644
--- a/sphinxman/master/prog_newcode.html
+++ b/sphinxman/master/prog_newcode.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -237,7 +237,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 36ce936d5c2..8b4e7e96312 100644
--- a/sphinxman/master/prog_setup.html
+++ b/sphinxman/master/prog_setup.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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@@ -203,7 +203,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_style_c.html b/sphinxman/master/prog_style_c.html
index fa89f8d6e30..029215954ce 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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>
@@ -290,7 +290,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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diff --git a/sphinxman/master/prog_style_py.html b/sphinxman/master/prog_style_py.html
index da8549b737d..df5245851b1 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/prog_tour.html b/sphinxman/master/prog_tour.html
index 0621ba58286..68649ef8e35 100644
--- a/sphinxman/master/prog_tour.html
+++ b/sphinxman/master/prog_tour.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -254,7 +254,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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>
@@ -268,7 +268,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->
diff --git a/sphinxman/master/prog_ways_to_add.html b/sphinxman/master/prog_ways_to_add.html
index 0d30267ac00..2c4faedc338 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -295,7 +295,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -309,7 +309,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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 70752c430af..98ce9d4f2ba 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 90726c20ceb..777068ad5b2 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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -353,7 +353,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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@@ -1605,7 +1605,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <link rel="stylesheet" type="text/css" href="_static/nbsphinx-code-cells.css" />
+    <link rel="stylesheet" type="text/css" href="_static/nbsphinx-code-cells.css?v=2aa19091" />
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -585,7 +585,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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         <span style="font-family: Optima, sans-serif;">P<span style="font-size: 82%;">SI</span>4</span>
@@ -367,7 +367,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/psipep.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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--- a/sphinxman/master/psithonfunc.html
+++ b/sphinxman/master/psithonfunc.html
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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+++ b/sphinxman/master/psithonmol.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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@@ -914,7 +914,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 02c57c5ce50..308250e35ba 100644
--- a/sphinxman/master/py-modindex.html
+++ b/sphinxman/master/py-modindex.html
@@ -46,7 +46,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       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=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 3a3171e8f36..60fa58455dc 100644
--- a/sphinxman/master/quickadddatabase.html
+++ b/sphinxman/master/quickadddatabase.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index a9d4c0a964b..a7dc7865ceb 100644
--- a/sphinxman/master/relativistic.html
+++ b/sphinxman/master/relativistic.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/1813c0c">1.10a1.dev48</a></li>
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@@ -348,7 +348,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/82ce595">1.10a1.dev49</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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
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index 5acf65921ed..a55e165f544 100644
--- a/sphinxman/master/sapt.html
+++ b/sphinxman/master/sapt.html
@@ -47,7 +47,7 @@
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-    <script src="_static/documentation_options.js?v=ffd2eaaa"></script>
+    <script src="_static/documentation_options.js?v=c8742349"></script>
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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/82ce595">1.10a1.dev49</a></li>
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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 Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
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index 8fb9567b936..7cac3a665fc 100644
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@@ -47,7 +47,7 @@
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -1399,7 +1399,7 @@ <h3>Navigation</h3>
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</a></li>
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@@ -1413,7 +1413,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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-    <li><a href="http://github.com/psi4/psi4/tree/1813c0c">1.10a1.dev48</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/1813c0c">1.10a1.dev48</a></li>
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@@ -206,7 +206,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
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+      Last updated on Thursday, 15 August 2024 09:16AM.
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[1484, null]], "COSX_DENSITY_TOLERANCE": [[1231, "cosx-density-tolerance"], [1485, null]], "COSX_INTS_TOLERANCE": [[1231, "cosx-ints-tolerance"], [1486, null]], "COSX_MAXITER_FINAL": [[1231, "cosx-maxiter-final"], [1487, null]], "COSX_OVERLAP_FITTING": [[1231, "cosx-overlap-fitting"], [1488, null]], "COSX_PRUNING_SCHEME": [[1231, "cosx-pruning-scheme"], [1489, null]], "COSX_RADIAL_POINTS_FINAL": [[1231, "cosx-radial-points-final"], [1490, null]], "COSX_RADIAL_POINTS_INITIAL": [[1231, "cosx-radial-points-initial"], [1491, null]], "COSX_SPHERICAL_POINTS_FINAL": [[1231, "cosx-spherical-points-final"], [1492, null]], "COSX_SPHERICAL_POINTS_INITIAL": [[1231, "cosx-spherical-points-initial"], [1493, null]], "COUPLED_INDUCTION": [[1230, "coupled-induction"], [1438, null], [1817, "coupled-induction"], [1817, "id13"]], "COUPLING": [[1229, "coupling"], [1400, null]], "COUPLING_TERMS": [[1229, "coupling-terms"], [1401, null]], "COVALENT_CONNECT": [[1226, "covalent-connect"], [1303, null]], "CPHF": [[1207, null]], "CPHF_MEM_SAFETY_FACTOR": [[714, null], [1207, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1029, null], [1218, "cphf-r-convergence"], [1230, "cphf-r-convergence"], [1439, null], [1817, "cphf-r-convergence"]], "CPHF_TASKS": [[715, null], [1207, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1108, null], [1221, "cubeprop-basis-functions"], [1730, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1109, null], [1221, "cubeprop-filepath"], [1730, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1110, null], [1221, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1111, null], [1221, "cubeprop-orbitals"], [1730, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1112, null], [1221, "cubeprop-tasks"], [1730, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1030, null], [1113, null], [1218, "cubic-basis-tolerance"], [1221, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": [[1031, null], [1114, null], [1218, "cubic-block-max-points"], [1221, "cubic-block-max-points"]], "CUBIC_GRID_OVERAGE": [[1032, null], [1115, null], [1218, "cubic-grid-overage"], [1221, "cubic-grid-overage"], [1730, "cubic-grid-overage"]], "CUBIC_GRID_SPACING": [[1033, null], [1116, null], [1218, "cubic-grid-spacing"], [1221, "cubic-grid-spacing"], [1730, "cubic-grid-spacing"]], "CUHF": [[14, null]], "CUTOFF": [[918, null], [1213, "cutoff"], [1225, "cutoff"], [1249, null]], "CUTOFF_AMPS_PRINT": [[0, "cutoff-amps-print"], [1, "cutoff-amps-print"], [401, null], [1197, "cutoff-amps-print"]], "Calling compute_shell(int P, int Q)": [[1797, "calling-compute-shell-int-p-int-q"]], "Capabilities": [[1761, "capabilities"]], "Capabilities and Alternate Implementations": [[1719, null]], "Capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>, including details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1719, "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": [[1723, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1797, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1817, "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>": [[1761, "citing-psifour"]], "Class Inheritance Diagram": [[1807, "class-inheritance-diagram"], [1807, "id3"], [1807, "id6"]], "Classes": [[1807, "classes"], [1807, "id2"], [1807, "id5"]], "Clone from GitHub Repository": [[1717, "clone-from-github-repository"]], "Code style conventions": [[1727, null]], "Collect documentation snapshot": [[1768, "collect-documentation-snapshot"]], "Collect new authors": [[1768, "collect-new-authors"]], "Command Line Options": [[1747, "command-line-options"]], "Comments": [[1784, "comments"]], "Community Code of Conduct": [[1791, null]], "Comparison Functions": [[2, "comparison-functions"]], "Compiling and Installing from Source": [[1718, null]], "Complete Basis Set": [[1720, null]], "Completely new methods": [[1803, "completely-new-methods"]], "CompositeJK": [[18, null]], "Computations with Mid-bonds": [[1817, "computations-with-mid-bonds"]], "Conda Binary Distribution": [[1728, null]], "Conda Binary Package": [[1717, "conda-binary-package"]], "Configuration Interaction (CI)": [[1761, "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": [[1716, 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[[266, null]], "Coordinates": [[1813, "coordinates"]], "CorrelationFactor": [[19, null]], "CorrelationTable": [[20, null]], "Coupled Cluster (CC)": [[1761, "coupled-cluster-cc"]], "Coupled electron pair approximation": [[1751, "coupled-electron-pair-approximation"]], "Creating New Plugins": [[1788, null]], "Creating a Database": [[1815, null]], "Creating a New Plugin": [[1788, "creating-a-new-plugin"]], "Creating a New Plugin Using a Conda Pre-compiled Binary": [[1788, "creating-a-new-plugin-using-a-conda-pre-compiled-binary"]], "Cube File Visualization with PyMol": [[1750, "cube-file-visualization-with-pymol"]], "CubeProperties": [[21, null]], "Cubeprop Tasks": [[1730, "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>": [[1722, "id14"]], "Current one-electron property capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: 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"Defining a Method Alias": [[1814, null]], "Density Cumulant Theory (DCT)": [[1761, "density-cumulant-theory-dct"]], "Density Matrices": [[1210, "density-matrices"]], "Density Matrix Renormalization Group (DMRG)": [[1761, "density-matrix-renormalization-group-dmrg"]], "Density Screening": [[1797, "density-screening"]], "Density matrix renormalization group capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> through CheMPS2": [[1726, "id1"]], "Density-fitted coupled cluster": [[1751, "density-fitted-coupled-cluster"]], "Deriv": [[61, null]], "DerivCalcType": [[62, null]], "Derivative Integrals": [[1797, "derivative-integrals"]], "Detailed Installation of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1728, "detailed-installation-of-psifour"]], "Detailed Installation of Miniconda": [[1728, 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"how-to-configure-blas-lapack-for-building-psi4"]], "How to configure C++ and C compilers for building Psi4": [[1718, "how-to-configure-c-and-c-compilers-for-building-psi4"]], "How to configure CPPE for building Psi4": [[1729, "how-to-configure-cppe-for-building-psi4"]], "How to configure CheMPS2 for building Psi4": [[1726, "how-to-configure-chemps2-for-building-psi4"]], "How to configure Fortran compilers for building Psi4": [[1718, "how-to-configure-fortran-compilers-for-building-psi4"]], "How to configure LibECPInt for building Psi4": [[1745, "how-to-configure-libecpint-for-building-psi4"]], "How to configure Libint for building Psi4": [[1763, "how-to-configure-libint-for-building-psi4"]], "How to configure Libxc for building Psi4": [[1764, "how-to-configure-libxc-for-building-psi4"]], "How to configure PCMSolver for building Psi4": [[1783, "how-to-configure-pcmsolver-for-building-psi4"]], "How to configure Python for building Psi4": [[1718, "how-to-configure-python-for-building-psi4"]], "How to configure a Psi4 build on Cray": [[1718, "how-to-configure-a-psi4-build-on-cray"]], "How to configure adcc for building Psi4": [[1, "how-to-configure-adcc-for-building-psi4"]], "How to configure code to use high angular momentum basis sets": [[1718, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to configure ddx for building Psi4": [[1734, "how-to-configure-ddx-for-building-psi4"]], "How to configure dkh for building Psi4": [[1742, "how-to-configure-dkh-for-building-psi4"]], "How to configure gau2gridfor building Psi4": [[1753, "how-to-configure-gau2gridfor-building-psi4"]], "How to configure gdma for building Psi4": [[1755, "how-to-configure-gdma-for-building-psi4"]], "How to configure libefp for building Psi4": [[1762, "how-to-configure-libefp-for-building-psi4"]], "How to configure paths for PsiAPI": [[1718, "how-to-configure-paths-for-psiapi"]], "How to configure simint for building Psi4": [[1819, "how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1766, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1766, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1766, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1718, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1766, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1766, "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": [[1726, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1718, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1718, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1718, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1718, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1718, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1727, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1727, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1728, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1728, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1728, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1718, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1765, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1766, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1765, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1790, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1790, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1790, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1718, "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}": [[1717, "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": [[1718, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1718, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1718, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1718, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1718, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1718, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1718, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1718, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1727, "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": [[1718, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1718, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1718, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1718, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1718, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1718, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1718, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1718, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1728, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1718, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1718, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1718, "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": [[1765, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1728, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1718, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1718, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1718, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1790, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1738, "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>": [[1680, null], [1738, "id5"]], "I-SAPT: A Representative Example": [[1750, "i-sapt-a-representative-example"]], "I. Basic Input Structure": [[1808, "I.-Basic-Input-Structure"]], "ICORE": [[837, null], [1210, "icore"], [1735, "icore"]], "IDAMAX": [[85, null]], "II. Running a Basic Hartree-Fock Calculation": [[1808, "II.-Running-a-Basic-Hartree-Fock-Calculation"]], "III. Geometry Optimization and Vibrational Frequency Analysis": [[1808, "III.-Geometry-Optimization-and-Vibrational-Frequency-Analysis"]], "INCFOCK": [[1231, "incfock"], [1563, null]], "INCFOCK_CONVERGENCE": [[1231, "incfock-convergence"], [1564, null]], "INCFOCK_FULL_FOCK_EVERY": [[1231, "incfock-full-fock-every"], [1565, null]], "INDUCED_CONVERGENCE": [[1228, "induced-convergence"], [1386, null], [1729, "induced-convergence"]], "INTCOS_GENERATE_EXIT": [[1226, "intcos-generate-exit"], [1332, null]], "INTEGRAL_CUTOFF": [[927, null], [1213, "integral-cutoff"]], "INTEGRAL_PACKAGE": [[1129, null], [1221, "integral-package"]], "INTERFRAGMENT_CONNECT": [[1226, "interfragment-connect"], [1339, null]], "INTERFRAG_COLLINEAR_TOL": [[1226, "interfrag-collinear-tol"], [1333, null]], "INTERFRAG_COORDS": [[1226, "interfrag-coords"], [1334, null]], "INTERFRAG_DIST_INV": [[1226, "interfrag-dist-inv"], [1335, null]], "INTERFRAG_HESS": [[1226, "interfrag-hess"], [1336, null]], "INTERFRAG_MODE": [[1226, "interfrag-mode"], [1337, null]], "INTERFRAG_STEP_LIMIT": [[1226, "interfrag-step-limit"], [1338, null]], "INTERNAL_ROTATIONS": [[1183, null], [1222, "internal-rotations"]], "INTRAFRAG_HESS": [[1226, "intrafrag-hess"], [1340, null]], "INTRAFRAG_STEP_LIMIT": [[1226, "intrafrag-step-limit"], [1341, null]], "INTRAFRAG_STEP_LIMIT_MAX": [[1226, "intrafrag-step-limit-max"], [1342, null]], "INTRAFRAG_STEP_LIMIT_MIN": [[1226, "intrafrag-step-limit-min"], [1343, null]], "INTS_TOLERANCE": [[415, null], [740, null], [905, null], [1053, null], [1198, "ints-tolerance"], [1208, "ints-tolerance"], [1212, "ints-tolerance"], [1218, "ints-tolerance"], [1224, "ints-tolerance"], [1230, "ints-tolerance"], [1231, "ints-tolerance"], [1234, null], [1452, null], [1566, null], [1817, "ints-tolerance"], [1817, "id26"]], "IO": [[86, null]], "IOManager": [[87, null]], "IP Fitting": [[1737, "ip-fitting"]], "IP_POLES": [[1225, "ip-poles"], [1264, null]], "IRC_DIRECTION": [[1226, "irc-direction"], [1344, null]], "IRC_POINTS": [[1226, "irc-points"], [1345, null]], "IRC_STEP_SIZE": [[1226, "irc-step-size"], [1346, null]], "ISOTROPIC_POL": [[1228, "isotropic-pol"], [1387, null], [1729, "isotropic-pol"]], "ISTOP": [[838, null], [1210, "istop"]], "IV. Analysis of Intermolecular Interactions": [[1808, "IV.-Analysis-of-Intermolecular-Interactions"]], "Important BLAS Routines": [[1790, "important-blas-routines"]], "Important Lapack Routines": [[1790, "important-lapack-routines"]], "Important User Changes from cpp-optking": [[1782, "important-user-changes-from-cpp-optking"]], "InPsight": [[323, null]], "Incorporating code into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1804, "incorporating-code-into-psifour"]], "Initial Guess": [[1818, "initial-guess"]], "Initialize release branch": [[1768, "initialize-release-branch"]], "Input": [[1742, "input"], [1755, "input"]], "Inputting effective core potentials (ECPs)": [[1710, "inputting-effective-core-potentials-ecps"]], "Installation": [[1, "installation"], [1723, "installation"], [1726, "installation"], [1729, "installation"], [1734, "installation"], [1739, "installation"], [1742, "installation"], [1745, "installation"], [1753, "installation"], [1754, "installation"], [1755, "installation"], [1762, "installation"], [1763, "installation"], [1764, "installation"], [1772, "installation"], [1783, "installation"], [1785, "installation"], [1786, "installation"], [1787, "installation"], [1819, "installation"]], "Installation and Runtime Configuration": [[1747, null]], "Installing BrianQC": [[1715, "installing-brianqc"]], "Installing Sphinx": [[1744, "installing-sphinx"]], "Instantiating integral objects": [[1797, "instantiating-integral-objects"]], "IntVector": [[88, null]], "Integral consuming technologies": [[1803, "integral-consuming-technologies"]], "Integral-Direct Density-Fitted Coulomb Construction": [[1818, "integral-direct-density-fitted-coulomb-construction"]], "IntegralFactory": [[89, null]], "IntegralTransform": [[90, null]], "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1797, 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>": [[1795, null]], "Interface Details": [[1772, "interface-details"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1723, null]], "Interface to CPPE by M. Scheurer": [[1729, null]], "Interface to CheMPS2 by S. Wouters": [[1726, null]], "Interface to DFTD3 by S. Grimme": [[1739, null]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1742, null]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1755, null]], "Interface to GeomeTRIC": [[1782, "interface-to-geometric"]], "Interface to LIBEFP by I. Kaliman": [[1762, null]], "Interface to LibECPInt by R. Shaw": [[1745, null]], "Interface to Libint by E. Valeev": [[1763, null]], "Interface to Libxc by M. A. L. Marques": [[1764, null]], "Interface to MRCC by M. K\u00e1llay": [[1772, null]], "Interface to Molden \u2014 molden()": [[1771, null]], "Interface to NumPy": [[1777, null]], "Interface to PCMSolver by R. Di Remigio": [[1783, null]], "Interface to SIMINT by B. Pritchard": [[1819, 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": [[1734, null]], "Interface to gCP by S. Grimme": [[1754, null]], "Interface to gau2grid by D. G. A. Smith": [[1753, null]], "Interface to programs through FCHK files \u2014 fchk()": [[1749, null]], "Interface to the BrianQC GPU module by the BrianQC team": [[1715, null]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1760, null]], "Interfacing with <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1794, "interfacing-with-psifour"]], "Interpreting SAPT Results": [[1817, "interpreting-sapt-results"]], "Introduction": [[1730, "introduction"], [1736, "introduction"], [1743, "introduction"], [1761, null], [1778, "introduction"], [1797, "introduction"], [1818, "introduction"], [1821, "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>": [[1798, null]], "IrreducibleRepresentation": [[91, null]], "Isotopic Substitution": [[1813, "isotopic-substitution"]], "Iterative Algorithms": [[1733, "iterative-algorithms"]], "Iterative solver parameters": [[1734, "iterative-solver-parameters"]], "JK": [[92, null]], "JOBTYPE": [[516, null], [1202, "jobtype"]], "JSCH": [[1672, "jsch"], [1732, "jsch"]], "JSON": [[1701, null]], "Job Control Keywords": [[1812, "job-control-keywords"]], "KIND": [[1, "kind"], [403, null], [1197, "kind"]], "Keywords": [[400, "keywords"], [1715, "keywords"], [1730, "keywords"], [1742, "keywords"], [1816, "keywords"], [1823, "keywords"]], "Keywords by Alpha": [[1684, null]], "Keywords by Module": [[1685, null]], "Keywords for CPPE": [[1729, "keywords-for-cppe"]], "Keywords for PCMSolver": [[1783, "keywords-for-pcmsolver"]], "Keywords for adcc": [[1, "keywords-for-adcc"]], "KineticInt": [[93, null]], "Known limitations": [[1821, "known-limitations"]], "LAPACK Wrappers": [[1790, "lapack-wrappers"]], "LEVEL_SHIFT": [[928, null], [1184, null], [1213, 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"local-cutoff"], [1203, "local-cutoff"]], "LOCAL_DO_SINGLES": [[480, null], [1200, "local-do-singles"]], "LOCAL_FILTER_SINGLES": [[481, null], [520, null], [544, null], [1200, "local-filter-singles"], [1202, "local-filter-singles"], [1203, "local-filter-singles"]], "LOCAL_IBO_CONDITION": [[1055, null], [1218, "local-ibo-condition"]], "LOCAL_IBO_POWER": [[1056, null], [1218, "local-ibo-power"]], "LOCAL_IBO_STARS": [[1057, null], [1218, "local-ibo-stars"]], "LOCAL_IBO_STARS_COMPLETENESS": [[1058, null], [1218, "local-ibo-stars-completeness"]], "LOCAL_IBO_USE_STARS": [[1059, null], [1218, "local-ibo-use-stars"]], "LOCAL_MAXITER": [[974, null], [1060, null], [1214, "local-maxiter"], [1218, "local-maxiter"], [1231, "local-maxiter"], [1571, null]], "LOCAL_METHOD": [[444, null], [482, null], [521, null], [545, null], [1199, "local-method"], [1200, "local-method"], [1202, "local-method"], [1203, "local-method"]], "LOCAL_PAIRDEF": [[445, null], [522, null], [546, null], [1199, "local-pairdef"], 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"api/psi4.driver.p4util.state_to_atomicinput", "api/psi4.driver.pcm_helper", "api/psi4.driver.process_input", "api/psi4.driver.prop", "api/psi4.driver.properties", "api/psi4.driver.qcdb.vib.compare_vibinfos", "api/psi4.driver.qcdb.vib.filter_nonvib", "api/psi4.driver.qcdb.vib.filter_omega_to_real", "api/psi4.driver.qcdb.vib.harmonic_analysis", "api/psi4.driver.qcdb.vib.hessian_symmetrize", "api/psi4.driver.qcdb.vib.print_molden_vibs", "api/psi4.driver.qcdb.vib.print_vibs", "api/psi4.driver.qcdb.vib.thermo", "api/psi4.driver.sanitize_method", "api/psi4.driver.sanitize_name", "api/psi4.driver.scf_helper", "api/psi4.driver.scf_wavefunction_factory", "api/psi4.driver.set_memory", "api/psi4.driver.set_module_options", "api/psi4.driver.set_options", "api/psi4.driver.tdscf", "api/psi4.driver.vibanal_wfn", "appendices", "autodir_options_c/adc__cutoff_amps_print", "autodir_options_c/adc__gauge", "autodir_options_c/adc__kind", "autodir_options_c/adc__max_num_vecs", "autodir_options_c/adc__maxiter", "autodir_options_c/adc__num_core_orbitals", "autodir_options_c/adc__num_guesses", "autodir_options_c/adc__r_convergence", "autodir_options_c/adc__reference", "autodir_options_c/adc__roots_per_irrep", "autodir_options_c/ccdensity__ao_basis", "autodir_options_c/ccdensity__cachelevel", "autodir_options_c/ccdensity__debug", "autodir_options_c/ccdensity__gauge", "autodir_options_c/ccdensity__ints_tolerance", "autodir_options_c/ccdensity__opdm_only", "autodir_options_c/ccdensity__opdm_relax", "autodir_options_c/ccdensity__prop_all", "autodir_options_c/ccdensity__prop_root", "autodir_options_c/ccdensity__prop_sym", "autodir_options_c/ccdensity__reference", "autodir_options_c/ccdensity__roots_per_irrep", "autodir_options_c/ccdensity__wfn", "autodir_options_c/ccdensity__write_nos", "autodir_options_c/ccdensity__xi", "autodir_options_c/ccdensity__xi_connect", "autodir_options_c/ccdensity__zeta", "autodir_options_c/ccenergy__abcd", "autodir_options_c/ccenergy__analyze", "autodir_options_c/ccenergy__ao_basis", "autodir_options_c/ccenergy__bccd_maxiter", "autodir_options_c/ccenergy__brueckner_orbs_r_convergence", "autodir_options_c/ccenergy__cachelevel", "autodir_options_c/ccenergy__cachetype", "autodir_options_c/ccenergy__cc_num_threads", "autodir_options_c/ccenergy__cc_os_scale", "autodir_options_c/ccenergy__cc_ss_scale", "autodir_options_c/ccenergy__diis", "autodir_options_c/ccenergy__e_convergence", "autodir_options_c/ccenergy__force_restart", "autodir_options_c/ccenergy__local", "autodir_options_c/ccenergy__local_cphf_cutoff", "autodir_options_c/ccenergy__local_cutoff", "autodir_options_c/ccenergy__local_method", "autodir_options_c/ccenergy__local_pairdef", "autodir_options_c/ccenergy__local_weakp", "autodir_options_c/ccenergy__maxiter", "autodir_options_c/ccenergy__mp2_amps_print", "autodir_options_c/ccenergy__mp2_os_scale", "autodir_options_c/ccenergy__mp2_ss_scale", "autodir_options_c/ccenergy__new_triples", "autodir_options_c/ccenergy__num_amps_print", "autodir_options_c/ccenergy__pair_energies_print", "autodir_options_c/ccenergy__property", "autodir_options_c/ccenergy__r_convergence", "autodir_options_c/ccenergy__reference", "autodir_options_c/ccenergy__restart", "autodir_options_c/ccenergy__scs_ccsd", "autodir_options_c/ccenergy__scs_mp2", "autodir_options_c/ccenergy__scsn_mp2", "autodir_options_c/ccenergy__semicanonical", "autodir_options_c/ccenergy__t2_coupled", "autodir_options_c/ccenergy__t3_ws_incore", "autodir_options_c/ccenergy__wfn", "autodir_options_c/cceom__abcd", "autodir_options_c/cceom__cachelevel", "autodir_options_c/cceom__cachetype", "autodir_options_c/cceom__cc3_follow_root", "autodir_options_c/cceom__cc_num_threads", "autodir_options_c/cceom__collapse_with_last", "autodir_options_c/cceom__collapse_with_last_cc3", "autodir_options_c/cceom__complex_tolerance", "autodir_options_c/cceom__e_convergence", "autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_algorithm", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__doi_basis_tolerance", "autodir_options_c/dlpno__doi_pruning_scheme", "autodir_options_c/dlpno__doi_radial_points", "autodir_options_c/dlpno__doi_spherical_points", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__ls_thc_basis_tolerance", "autodir_options_c/globals__ls_thc_df", "autodir_options_c/globals__ls_thc_pruning_scheme", "autodir_options_c/globals__ls_thc_radial_points", "autodir_options_c/globals__ls_thc_s_epsilon", "autodir_options_c/globals__ls_thc_spherical_points", "autodir_options_c/globals__ls_thc_weights_tolerance", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__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", 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"psi4.core.IntegralFactory.ao_multipole_potential", false]], "ao_multipole_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_multipole_potential", false]], "ao_multipoles() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_multipoles", false]], "ao_multipoles() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_multipoles", false]], "ao_nabla() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_nabla", false]], "ao_nabla() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_nabla", false]], "ao_oei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_oei_deriv1", false]], "ao_oei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_oei_deriv2", false]], "ao_overlap() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_overlap", false]], "ao_overlap() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_overlap", false]], "ao_overlap_half_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_overlap_half_deriv1", false]], "ao_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_potential", false]], "ao_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_potential", false]], "ao_potential_erf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_potential_erf", false]], "ao_potential_erf_complement() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_potential_erf_complement", false]], "ao_pvp() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_pvp", false]], "ao_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_quadrupole", false]], "ao_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_quadrupole", false]], "ao_tei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_tei_deriv1", false]], "ao_tei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_tei_deriv2", false]], "ao_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ao_to_shell", false]], "ao_traceless_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_traceless_quadrupole", false]], "ao_traceless_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_traceless_quadrupole", false]], "aorbs() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.aOrbs", false]], "aoshellcombinationsiterator (class in psi4.core)": [[3, "psi4.core.AOShellCombinationsIterator", false]], "aotoso() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.aotoso", false]], "aotoso() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.aotoso", false]], "append() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.append", false]], "appendcharges() (psi4.core.externalpotential 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false]], "architectures": [[1761, "index-0", false]], "array_interface() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.array_interface", false]], "array_interface() (psi4.core.vector method)": [[148, "psi4.core.Vector.array_interface", false]], "array_to_matrix() (in module psi4.driver.p4util)": [[331, "psi4.driver.p4util.array_to_matrix", false]], "array_to_matrix() (in module psi4.driver.p4util.numpy_helper)": [[1777, "psi4.driver.p4util.numpy_helper.array_to_matrix", false]], "array_variable() (in module psi4.core)": [[151, "psi4.core.array_variable", false]], "array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.array_variable", false]], "array_variables() (in module psi4.core)": [[152, "psi4.core.array_variables", false]], "array_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.array_variables", false]], "arrays() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.arrays", false]], "ascending 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"auxiliary_bond_factor (optking)": [[1684, "term-AUXILIARY_BOND_FACTOR-OPTKING", true]], "available": [[1732, "index-4", false]], "available by element": [[1711, "index-0", false]], "available by family": [[1710, "index-0", false], [1713, "index-0", false]], "available functionals": [[1738, "index-0", false]], "avg_states (detci)": [[1684, "term-AVG_STATES-DETCI", true]], "avg_weights (detci)": [[1684, "term-AVG_WEIGHTS-DETCI", true]], "axpby() (psi4.core.vector method)": [[148, "psi4.core.Vector.axpby", false]], "axpy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.axpy", false]], "axpy() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.axpy", false]], "axpy() (psi4.core.vector method)": [[148, "psi4.core.Vector.axpy", false]], "axpy_matrix() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.axpy_matrix", false]], "axpy_matrix() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.axpy_matrix", false]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1684, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[282, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1735, "index-2", false], [1751, "index-2", false]], "basis (dfmp2)": [[1684, "term-BASIS-DFMP2", true]], "basis (mints)": [[1684, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1684, "term-BASIS-SAPT", true]], "basis (scf)": [[1684, "term-BASIS-SCF", true]], "basis set": [[1710, "index-0", false], [1710, "index-1", false], [1710, "index-2", false], [1710, "index-3", false], [1711, "index-0", false], [1712, "index-0", false], [1713, "index-0", false], [1720, "index-0", false], [1720, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[147, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1684, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[283, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1684, "term-BASIS_RELATIVISTIC-GLOBALS", true]], "basis_values() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.basis_values", false]], "basisextents (class in psi4.core)": [[6, "psi4.core.BasisExtents", false]], "basisfunctions (class in psi4.core)": [[7, "psi4.core.BasisFunctions", false]], "basisset (class in psi4.core)": [[8, "psi4.core.BasisSet", false]], "basisset() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.basisset", false]], "basisset() (psi4.core.jk method)": [[92, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1756, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1684, "term-BCCD_MAXITER-CCENERGY", true]], 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"c_functionals() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_functionals", false]], "c_left_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_left_add", false]], "c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_omega", false]], "c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_os_alpha", false]], "c_right_add() (psi4.core.jk method)": [[92, "psi4.core.JK.C_right_add", false]], "c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.c_ss_alpha", false]], "ca() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Ca", false]], "ca() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Ca", false]], "ca_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Ca_subset", false]], "cachelevel (ccdensity)": [[1684, "term-CACHELEVEL-CCDENSITY", true]], "cachelevel (ccenergy)": [[1684, "term-CACHELEVEL-CCENERGY", true]], "cachelevel (cceom)": [[1684, "term-CACHELEVEL-CCEOM", true]], "cachelevel (cchbar)": [[1684, "term-CACHELEVEL-CCHBAR", true]], "cachelevel (cclambda)": [[1684, "term-CACHELEVEL-CCLAMBDA", true]], "cachelevel (ccresponse)": [[1684, "term-CACHELEVEL-CCRESPONSE", true]], "cachelevel (cctransort)": [[1684, "term-CACHELEVEL-CCTRANSORT", true]], "cachelevel (dct)": [[1684, "term-CACHELEVEL-DCT", true]], "cachelevel (occ)": [[1684, "term-CACHELEVEL-OCC", true]], "cachetype (ccenergy)": [[1684, "term-CACHETYPE-CCENERGY", true]], "cachetype (cceom)": [[1684, "term-CACHETYPE-CCEOM", true]], "calc_s_squared (detci)": [[1684, "term-CALC_S_SQUARED-DETCI", true]], "canonicalize_active_favg (mcscf)": [[1684, "term-CANONICALIZE_ACTIVE_FAVG-MCSCF", true]], "canonicalize_inactive_favg (mcscf)": [[1684, "term-CANONICALIZE_INACTIVE_FAVG-MCSCF", true]], "cart_hess_read (optking)": [[1684, "term-CART_HESS_READ-OPTKING", true]], "cartesian (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.Cartesian", false]], "cartesian_sym_tolerance (optking)": [[1684, "term-CARTESIAN_SYM_TOLERANCE-OPTKING", true]], "cb() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Cb", false]], "cb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb", false]], "cb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Cb_subset", false]], "cbs correlation energy": [[1756, "psivar-CBS-CORRELATION-ENERGY", false]], "cbs number": [[1756, "psivar-CBS-NUMBER", false]], "cbs reference energy": [[1756, "psivar-CBS-REFERENCE-ENERGY", false]], "cbs total energy": [[1756, "psivar-CBS-TOTAL-ENERGY", false]], "cbs()": [[284, "index-0", false], [1720, "index-0", false], [1720, "index-1", false], [1720, "index-2", false], [1720, "index-3", false], [1721, "index-0", false]], "cbs() (in module psi4.driver)": [[284, "psi4.driver.cbs", false]], "cbsrec (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.cbsrec", false]], "cc": [[1722, "index-0", false]], "cc (detci)": [[1684, "term-CC-DETCI", true]], "cc alpha-alpha pair energies": [[1756, "psivar-CC-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc alpha-beta pair energies": [[1756, "psivar-CC-ALPHA-BETA-PAIR-ENERGIES", false]], "cc correlation energy": [[1756, "psivar-CC-CORRELATION-ENERGY", false]], "cc correlation kinetic energy": [[1756, "psivar-CC-CORRELATION-KINETIC-ENERGY", false]], "cc correlation potential energy": [[1756, "psivar-CC-CORRELATION-POTENTIAL-ENERGY", false]], "cc correlation virial ratio": [[1756, "psivar-CC-CORRELATION-VIRIAL-RATIO", false]], "cc d1 diagnostic": [[1756, "psivar-CC-D1-DIAGNOSTIC", false]], "cc d2 diagnostic": [[1756, "psivar-CC-D2-DIAGNOSTIC", false]], "cc dipole": [[1756, "psivar-CC-DIPOLE", false]], "cc new d1 diagnostic": [[1756, "psivar-CC-NEW-D1-DIAGNOSTIC", false]], "cc singlet pair energies": [[1756, "psivar-CC-SINGLET-PAIR-ENERGIES", false]], "cc t1 diagnostic": [[1756, "psivar-CC-T1-DIAGNOSTIC", false]], "cc total energy": [[1756, "psivar-CC-TOTAL-ENERGY", false]], "cc triplet pair energies": [[1756, "psivar-CC-TRIPLET-PAIR-ENERGIES", false]], "cc virial ratio": [[1756, "psivar-CC-VIRIAL-RATIO", false]], "cc(n-1)(n) correlation energy": [[1756, "psivar-CC-n-1-n-CORRELATION-ENERGY", false]], "cc(n-1)(n) total energy": [[1756, "psivar-CC-n-1-n-TOTAL-ENERGY", false]], "cc(n-1)(n)_l correlation energy": [[1756, "psivar-CC-n-1-n-_L-CORRELATION-ENERGY", false]], "cc(n-1)(n)_l total energy": [[1756, "psivar-CC-n-1-n-_L-TOTAL-ENERGY", false]], "cc, coupled cluster": [[1722, "index-0", false]], "cc2 alpha-alpha pair energies": [[1756, "psivar-CC2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "cc2 alpha-beta pair energies": [[1756, "psivar-CC2-ALPHA-BETA-PAIR-ENERGIES", false]], "cc2 correlation energy": [[1756, "psivar-CC2-CORRELATION-ENERGY", false]], "cc2 dipole polarizability @ xnm": [[1756, "psivar-CC2-DIPOLE-POLARIZABILITY-xNM", false]], "cc2 dipole polarizability tensor @ xnm": [[1756, "psivar-CC2-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 quadrupole polarizability @ xnm": [[1756, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-xNM", false]], "cc2 quadrupole polarizability tensor @ xnm": [[1756, "psivar-CC2-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "cc2 rotation (len) origin-dependence @ xnm": [[1756, "psivar-CC2-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "cc2 singlet pair energies": [[1756, "psivar-CC2-SINGLET-PAIR-ENERGIES", false]], "cc2 specific rotation (len) @ xnm": [[1756, "psivar-CC2-SPECIFIC-ROTATION-LEN-xNM", false]], "cc2 specific rotation (mvg) @ xnm": [[1756, "psivar-CC2-SPECIFIC-ROTATION-MVG-xNM", false]], "cc2 specific rotation (vel) @ xnm": [[1756, "psivar-CC2-SPECIFIC-ROTATION-VEL-xNM", false]], "cc2 total energy": [[1756, "psivar-CC2-TOTAL-ENERGY", false]], "cc2 triplet pair energies": [[1756, "psivar-CC2-TRIPLET-PAIR-ENERGIES", false]], "cc3 alpha-alpha pair energies": [[1756, 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true]], "cc_fix_external (detci)": [[1684, "term-CC_FIX_EXTERNAL-DETCI", true]], "cc_fix_external_min (detci)": [[1684, "term-CC_FIX_EXTERNAL_MIN-DETCI", true]], "cc_lambda (dfocc)": [[1684, "term-CC_LAMBDA-DFOCC", true]], "cc_macro (detci)": [[1684, "term-CC_MACRO-DETCI", true]], "cc_maxiter (dfocc)": [[1684, "term-CC_MAXITER-DFOCC", true]], "cc_maxiter (occ)": [[1684, "term-CC_MAXITER-OCC", true]], "cc_mixed (detci)": [[1684, "term-CC_MIXED-DETCI", true]], "cc_num_threads (ccenergy)": [[1684, "term-CC_NUM_THREADS-CCENERGY", true]], "cc_num_threads (cceom)": [[1684, "term-CC_NUM_THREADS-CCEOM", true]], "cc_num_threads (cctriples)": [[1684, "term-CC_NUM_THREADS-CCTRIPLES", true]], "cc_num_threads (psimrcc)": [[1684, "term-CC_NUM_THREADS-PSIMRCC", true]], "cc_os_scale (ccenergy)": [[1684, "term-CC_OS_SCALE-CCENERGY", true]], "cc_ras34_max (detci)": [[1684, "term-CC_RAS34_MAX-DETCI", true]], "cc_ras3_max (detci)": [[1684, "term-CC_RAS3_MAX-DETCI", true]], "cc_ras4_max (detci)": [[1684, "term-CC_RAS4_MAX-DETCI", true]], "cc_scale_os (fnocc)": [[1684, "term-CC_SCALE_OS-FNOCC", true]], "cc_scale_ss (fnocc)": [[1684, "term-CC_SCALE_SS-FNOCC", true]], "cc_ss_scale (ccenergy)": [[1684, "term-CC_SS_SCALE-CCENERGY", true]], "cc_timings (fnocc)": [[1684, "term-CC_TIMINGS-FNOCC", true]], "cc_type (globals)": [[1684, "term-CC_TYPE-GLOBALS", true]], "cc_update_eps (detci)": [[1684, "term-CC_UPDATE_EPS-DETCI", true]], "cc_val_ex_level (detci)": [[1684, "term-CC_VAL_EX_LEVEL-DETCI", true]], "cc_variational (detci)": [[1684, "term-CC_VARIATIONAL-DETCI", true]], "cc_vecs_read (detci)": [[1684, "term-CC_VECS_READ-DETCI", true]], "cc_vecs_write (detci)": [[1684, "term-CC_VECS_WRITE-DETCI", true]], "ccd correlation energy": [[1756, "psivar-CCD-CORRELATION-ENERGY", false]], "ccd doubles energy": [[1756, "psivar-CCD-DOUBLES-ENERGY", false]], "ccd opposite-spin correlation energy": [[1756, "psivar-CCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccd same-spin correlation energy": [[1756, 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"psivar-CCn-1a-CORRELATION-ENERGY", false]], "ccn-1a total energy": [[1756, "psivar-CCn-1a-TOTAL-ENERGY", false]], "ccn-1b correlation energy": [[1756, "psivar-CCn-1b-CORRELATION-ENERGY", false]], "ccn-1b total energy": [[1756, "psivar-CCn-1b-TOTAL-ENERGY", false]], "ccn-3 correlation energy": [[1756, "psivar-CCn-3-CORRELATION-ENERGY", false]], "ccn-3 total energy": [[1756, "psivar-CCn-3-TOTAL-ENERGY", false]], "ccname root m (h) -> root n (i) einstein a (len)": [[1756, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-A-LEN", false]], "ccname root m (h) -> root n (i) einstein b (len)": [[1756, "psivar-CCname-ROOT-m-h-ROOT-n-i-EINSTEIN-B-LEN", false]], "ccname root m (h) -> root n (i) oscillator strength (len)": [[1756, "psivar-CCname-ROOT-m-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (len)": [[1756, "psivar-CCname-ROOT-m-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "ccname root m (h) -> root n (i) rotatory strength (vel)": [[1756, 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false]], "ccname root m -> root n einstein b (len)": [[1756, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1756, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1756, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1756, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1756, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1756, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1756, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1756, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1756, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1756, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1756, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1756, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1756, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1756, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1756, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1756, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1756, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1756, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1756, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1756, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1756, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1756, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1756, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1756, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1756, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1756, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[165, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1756, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1756, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1756, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1756, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1756, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1756, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1756, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1756, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1756, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1756, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1756, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1756, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1756, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1756, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1756, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1756, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1756, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1756, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1756, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1756, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1756, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1751, "index-1", false]], "ccsd(t) correlation energy": [[1756, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1756, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1756, "psivar-CCSD-T-_L-CORRELATION-ENERGY", false]], "ccsd(t)_l total energy": [[1756, "psivar-CCSD-T-_L-TOTAL-ENERGY", false]], "ccsdt correlation energy": [[1756, "psivar-CCSDT-CORRELATION-ENERGY", false]], "ccsdt total energy": [[1756, "psivar-CCSDT-TOTAL-ENERGY", false]], "ccsdt(q) correlation energy": [[1756, "psivar-CCSDT-Q-CORRELATION-ENERGY", false]], "ccsdt(q) total energy": [[1756, "psivar-CCSDT-Q-TOTAL-ENERGY", false]], "ccsdt(q)/a correlation energy": [[1756, "psivar-CCSDT-Q-A-CORRELATION-ENERGY", false]], "ccsdt(q)/a total energy": [[1756, "psivar-CCSDT-Q-A-TOTAL-ENERGY", false]], "ccsdt(q)/b correlation energy": [[1756, "psivar-CCSDT-Q-B-CORRELATION-ENERGY", false]], "ccsdt(q)/b total energy": [[1756, "psivar-CCSDT-Q-B-TOTAL-ENERGY", false]], "ccsdt(q)_l correlation energy": [[1756, "psivar-CCSDT-Q-_L-CORRELATION-ENERGY", false]], "ccsdt(q)_l total energy": [[1756, "psivar-CCSDT-Q-_L-TOTAL-ENERGY", false]], "ccsdt-1a correlation energy": [[1756, "psivar-CCSDT-1a-CORRELATION-ENERGY", false]], "ccsdt-1a total energy": [[1756, "psivar-CCSDT-1a-TOTAL-ENERGY", false]], "ccsdt-1b correlation energy": [[1756, "psivar-CCSDT-1b-CORRELATION-ENERGY", false]], "ccsdt-1b total energy": [[1756, "psivar-CCSDT-1b-TOTAL-ENERGY", false]], "ccsdt-3 correlation energy": [[1756, "psivar-CCSDT-3-CORRELATION-ENERGY", false]], "ccsdt-3 total energy": [[1756, "psivar-CCSDT-3-TOTAL-ENERGY", false]], "ccsdtq correlation energy": [[1756, "psivar-CCSDTQ-CORRELATION-ENERGY", false]], "ccsdtq total energy": [[1756, "psivar-CCSDTQ-TOTAL-ENERGY", false]], "ccsdtq-1a correlation energy": [[1756, "psivar-CCSDTQ-1a-CORRELATION-ENERGY", false]], "ccsdtq-1a total energy": [[1756, "psivar-CCSDTQ-1a-TOTAL-ENERGY", false]], "ccsdtq-1b correlation energy": [[1756, "psivar-CCSDTQ-1b-CORRELATION-ENERGY", false]], "ccsdtq-1b total energy": [[1756, "psivar-CCSDTQ-1b-TOTAL-ENERGY", false]], "ccsdtq-3 correlation energy": [[1756, "psivar-CCSDTQ-3-CORRELATION-ENERGY", false]], "ccsdtq-3 total energy": [[1756, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[166, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[167, "psi4.core.cctriples", false]], "ccwavefunction (class in psi4.core)": [[11, "psi4.core.CCWavefunction", false]], "cdsalc (class in psi4.core)": [[15, "psi4.core.CdSalc", false]], "cdsalclist (class in psi4.core)": [[16, "psi4.core.CdSalcList", false]], "cdsalcs() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1751, "index-1", false]], "cepa(0) correlation energy": [[1756, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1756, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1756, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1756, "psivar-CEPA-0-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(0) quadrupole": [[1756, "psivar-CEPA-0-QUADRUPOLE", false]], "cepa(0) same-spin correlation energy": [[1756, "psivar-CEPA-0-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(0) singles energy": [[1756, "psivar-CEPA-0-SINGLES-ENERGY", false]], "cepa(0) total energy": [[1756, "psivar-CEPA-0-TOTAL-ENERGY", false]], "cepa(1) correlation energy": [[1756, "psivar-CEPA-1-CORRELATION-ENERGY", false]], "cepa(1) doubles energy": [[1756, "psivar-CEPA-1-DOUBLES-ENERGY", false]], "cepa(1) opposite-spin correlation energy": [[1756, "psivar-CEPA-1-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(1) same-spin correlation energy": [[1756, "psivar-CEPA-1-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(1) singles energy": [[1756, "psivar-CEPA-1-SINGLES-ENERGY", false]], "cepa(1) total energy": [[1756, "psivar-CEPA-1-TOTAL-ENERGY", false]], "cepa(2) correlation energy": [[1756, "psivar-CEPA-2-CORRELATION-ENERGY", false]], "cepa(2) doubles energy": [[1756, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1756, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1756, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1756, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1756, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1756, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1756, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1756, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1756, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1756, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1756, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1684, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1684, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1684, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1684, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1684, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1684, "term-CEPA_TYPE-OCC", true]], "cfour": [[1723, "index-0", false]], "cfour error code": [[1756, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1684, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1684, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1684, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1684, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1684, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1684, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1684, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1684, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1684, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1684, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1684, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1684, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1684, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1684, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1684, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1684, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1684, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1684, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1684, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1684, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1684, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1684, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1684, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1684, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1684, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1684, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1684, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1684, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1684, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1684, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1684, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1684, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1684, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1684, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1684, "term-CFOUR_ECP-CFOUR", true]], "cfour_eigenvector (cfour)": [[1684, "term-CFOUR_EIGENVECTOR-CFOUR", true]], "cfour_el_anharm (cfour)": [[1684, "term-CFOUR_EL_ANHARM-CFOUR", true]], "cfour_eom_nonit (cfour)": [[1684, "term-CFOUR_EOM_NONIT-CFOUR", true]], "cfour_estate_conv (cfour)": [[1684, "term-CFOUR_ESTATE_CONV-CFOUR", true]], "cfour_estate_maxcyc (cfour)": [[1684, "term-CFOUR_ESTATE_MAXCYC-CFOUR", true]], "cfour_estate_prop (cfour)": [[1684, "term-CFOUR_ESTATE_PROP-CFOUR", true]], "cfour_estate_sym (cfour)": [[1684, "term-CFOUR_ESTATE_SYM-CFOUR", true]], "cfour_estate_trans (cfour)": [[1684, "term-CFOUR_ESTATE_TRANS-CFOUR", true]], "cfour_eval_hess (cfour)": [[1684, "term-CFOUR_EVAL_HESS-CFOUR", true]], "cfour_excitation (cfour)": [[1684, "term-CFOUR_EXCITATION-CFOUR", true]], "cfour_excite (cfour)": [[1684, "term-CFOUR_EXCITE-CFOUR", true]], "cfour_fc_field (cfour)": [[1684, "term-CFOUR_FC_FIELD-CFOUR", true]], "cfour_fd_calctype (cfour)": [[1684, "term-CFOUR_FD_CALCTYPE-CFOUR", true]], "cfour_fd_irreps (cfour)": [[1684, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1684, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1684, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1684, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1684, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1684, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1684, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1684, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1684, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1684, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1684, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1684, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1684, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1684, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1684, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1684, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1684, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1684, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1684, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1684, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1684, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1684, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1684, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1684, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1684, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1684, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1684, "term-CFOUR_INPUT_MRCC-CFOUR", true]], "cfour_integrals (cfour)": [[1684, "term-CFOUR_INTEGRALS-CFOUR", true]], "cfour_joda_print (cfour)": [[1684, "term-CFOUR_JODA_PRINT-CFOUR", true]], "cfour_lineq_conv (cfour)": [[1684, "term-CFOUR_LINEQ_CONV-CFOUR", true]], "cfour_lineq_maxcy (cfour)": [[1684, "term-CFOUR_LINEQ_MAXCY-CFOUR", true]], "cfour_lineq_type (cfour)": [[1684, "term-CFOUR_LINEQ_TYPE-CFOUR", true]], "cfour_lock_orbocc (cfour)": [[1684, "term-CFOUR_LOCK_ORBOCC-CFOUR", true]], "cfour_maxstep (cfour)": [[1684, "term-CFOUR_MAXSTEP-CFOUR", true]], "cfour_mem_unit (cfour)": [[1684, "term-CFOUR_MEM_UNIT-CFOUR", true]], "cfour_memory_size (cfour)": [[1684, "term-CFOUR_MEMORY_SIZE-CFOUR", true]], "cfour_method (cfour)": [[1684, "term-CFOUR_METHOD-CFOUR", true]], "cfour_mrcc (cfour)": [[1684, "term-CFOUR_MRCC-CFOUR", true]], "cfour_multiplicity (cfour)": [[1684, "term-CFOUR_MULTIPLICITY-CFOUR", true]], "cfour_nacoupling (cfour)": [[1684, "term-CFOUR_NACOUPLING-CFOUR", true]], "cfour_negeval (cfour)": [[1684, "term-CFOUR_NEGEVAL-CFOUR", true]], "cfour_newnorm (cfour)": [[1684, "term-CFOUR_NEWNORM-CFOUR", true]], "cfour_nonhf (cfour)": [[1684, "term-CFOUR_NONHF-CFOUR", true]], "cfour_ntop_tamp (cfour)": [[1684, "term-CFOUR_NTOP_TAMP-CFOUR", true]], "cfour_occupation (cfour)": [[1684, "term-CFOUR_OCCUPATION-CFOUR", true]], "cfour_omp_num_threads (cfour)": [[1684, "term-CFOUR_OMP_NUM_THREADS-CFOUR", true]], "cfour_open-shell (cfour)": [[1684, "term-CFOUR_OPEN-SHELL-CFOUR", true]], "cfour_opt_maxcyc (cfour)": [[1684, "term-CFOUR_OPT_MAXCYC-CFOUR", true]], "cfour_orbitals (cfour)": [[1684, "term-CFOUR_ORBITALS-CFOUR", true]], "cfour_pert_orb (cfour)": [[1684, "term-CFOUR_PERT_ORB-CFOUR", true]], "cfour_points (cfour)": [[1684, "term-CFOUR_POINTS-CFOUR", true]], "cfour_print (cfour)": [[1684, "term-CFOUR_PRINT-CFOUR", true]], "cfour_prop_integral (cfour)": [[1684, "term-CFOUR_PROP_INTEGRAL-CFOUR", true]], "cfour_props (cfour)": [[1684, "term-CFOUR_PROPS-CFOUR", true]], "cfour_qrhf_general (cfour)": [[1684, "term-CFOUR_QRHF_GENERAL-CFOUR", true]], "cfour_qrhf_orbital (cfour)": [[1684, "term-CFOUR_QRHF_ORBITAL-CFOUR", true]], "cfour_qrhfgues (cfour)": [[1684, "term-CFOUR_QRHFGUES-CFOUR", true]], "cfour_raman_int (cfour)": [[1684, "term-CFOUR_RAMAN_INT-CFOUR", true]], "cfour_raman_orb (cfour)": [[1684, "term-CFOUR_RAMAN_ORB-CFOUR", true]], "cfour_rdo (cfour)": [[1684, "term-CFOUR_RDO-CFOUR", true]], "cfour_reference (cfour)": [[1684, "term-CFOUR_REFERENCE-CFOUR", true]], "cfour_relativistic (cfour)": [[1684, "term-CFOUR_RELATIVISTIC-CFOUR", true]], "cfour_relax_dens (cfour)": [[1684, "term-CFOUR_RELAX_DENS-CFOUR", true]], "cfour_res_raman (cfour)": [[1684, "term-CFOUR_RES_RAMAN-CFOUR", true]], "cfour_restart_cc (cfour)": [[1684, "term-CFOUR_RESTART_CC-CFOUR", true]], "cfour_rot_evec (cfour)": [[1684, "term-CFOUR_ROT_EVEC-CFOUR", true]], "cfour_save_ints (cfour)": [[1684, "term-CFOUR_SAVE_INTS-CFOUR", true]], "cfour_scale_on (cfour)": [[1684, "term-CFOUR_SCALE_ON-CFOUR", true]], "cfour_scf_conv (cfour)": [[1684, "term-CFOUR_SCF_CONV-CFOUR", true]], "cfour_scf_damping (cfour)": [[1684, "term-CFOUR_SCF_DAMPING-CFOUR", true]], "cfour_scf_exporder (cfour)": [[1684, "term-CFOUR_SCF_EXPORDER-CFOUR", true]], "cfour_scf_expstart (cfour)": [[1684, "term-CFOUR_SCF_EXPSTART-CFOUR", true]], "cfour_scf_extrapolation (cfour)": [[1684, "term-CFOUR_SCF_EXTRAPOLATION-CFOUR", true]], "cfour_scf_maxcyc (cfour)": [[1684, "term-CFOUR_SCF_MAXCYC-CFOUR", true]], "cfour_sd_field (cfour)": [[1684, "term-CFOUR_SD_FIELD-CFOUR", true]], "cfour_spherical (cfour)": [[1684, "term-CFOUR_SPHERICAL-CFOUR", true]], "cfour_spin_flip (cfour)": [[1684, "term-CFOUR_SPIN_FLIP-CFOUR", true]], "cfour_spin_orbit (cfour)": [[1684, "term-CFOUR_SPIN_ORBIT-CFOUR", true]], "cfour_spin_scal (cfour)": [[1684, "term-CFOUR_SPIN_SCAL-CFOUR", true]], "cfour_spinrotation (cfour)": [[1684, "term-CFOUR_SPINROTATION-CFOUR", true]], "cfour_subgroup (cfour)": [[1684, "term-CFOUR_SUBGROUP-CFOUR", true]], "cfour_sym_check (cfour)": [[1684, "term-CFOUR_SYM_CHECK-CFOUR", true]], "cfour_symmetry (cfour)": [[1684, "term-CFOUR_SYMMETRY-CFOUR", true]], "cfour_t3_extrapol (cfour)": [[1684, "term-CFOUR_T3_EXTRAPOL-CFOUR", true]], "cfour_tamp_sum (cfour)": [[1684, "term-CFOUR_TAMP_SUM-CFOUR", true]], "cfour_thermochemistry (cfour)": [[1684, "term-CFOUR_THERMOCHEMISTRY-CFOUR", true]], "cfour_trans_inv (cfour)": [[1684, "term-CFOUR_TRANS_INV-CFOUR", true]], "cfour_treat_pert (cfour)": [[1684, "term-CFOUR_TREAT_PERT-CFOUR", true]], "cfour_uij_threshold (cfour)": [[1684, "term-CFOUR_UIJ_THRESHOLD-CFOUR", true]], "cfour_units (cfour)": [[1684, "term-CFOUR_UNITS-CFOUR", true]], "cfour_update_hessian (cfour)": [[1684, "term-CFOUR_UPDATE_HESSIAN-CFOUR", true]], "cfour_vibration (cfour)": [[1684, "term-CFOUR_VIBRATION-CFOUR", true]], "cfour_vtran (cfour)": [[1684, "term-CFOUR_VTRAN-CFOUR", true]], "cfour_xfield (cfour)": [[1684, "term-CFOUR_XFIELD-CFOUR", true]], "cfour_xform_tol (cfour)": [[1684, "term-CFOUR_XFORM_TOL-CFOUR", true]], "cfour_yfield (cfour)": [[1684, "term-CFOUR_YFIELD-CFOUR", true]], "cfour_zfield (cfour)": [[1684, "term-CFOUR_ZFIELD-CFOUR", true]], "cg_solver() (in module psi4.driver.p4util)": [[335, "psi4.driver.p4util.cg_solver", false]], "chain_dot() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.chain_dot", false]], "change_file_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.change_file_namespace", false]], "char_table() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.char_table", false]], "character() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.character", false]], "charactertable (class in psi4.core)": [[17, "psi4.core.CharacterTable", false]], "charge": [[1813, "index-2", false]], "charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.charge", false]], "charge-transfer": [[1817, "index-4", false]], "check_phases() (psi4.core.hf method)": [[84, "psi4.core.HF.check_phases", false]], "chemps2": [[1726, "index-0", false]], "cholesky (dfocc)": [[1684, "term-CHOLESKY-DFOCC", true]], "cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.cholesky_factorize", false]], "cholesky_tolerance (dfocc)": [[1684, "term-CHOLESKY_TOLERANCE-DFOCC", true]], "cholesky_tolerance (fnocc)": [[1684, "term-CHOLESKY_TOLERANCE-FNOCC", true]], "cholesky_tolerance (scf)": [[1684, "term-CHOLESKY_TOLERANCE-SCF", true]], "ci": [[1735, "index-0", false], [1735, "index-1", false], [1735, "index-2", false], [1735, "index-3", false], [1735, "index-4", false], [1735, "index-5", false], [1769, "index-2", false]], "ci correlation energy": [[1756, "psivar-CI-CORRELATION-ENERGY", false]], "ci dipole": [[1756, "psivar-CI-DIPOLE", false]], "ci quadrupole": [[1756, "psivar-CI-QUADRUPOLE", false]], "ci root n -> root m dipole": [[1756, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", false]], "ci root n -> root m quadrupole": [[1756, 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"term-CI_TYPE-GLOBALS", true]], "ciblks_print (detci)": [[1684, "term-CIBLKS_PRINT-DETCI", true]], "cin correlation energy": [[1756, "psivar-CIn-CORRELATION-ENERGY", false]], "cin total energy": [[1756, "psivar-CIn-TOTAL-ENERGY", false]], "cisd correlation energy": [[1756, "psivar-CISD-CORRELATION-ENERGY", false]], "cisd dipole": [[1756, "psivar-CISD-DIPOLE", false]], "cisd doubles energy": [[1756, "psivar-CISD-DOUBLES-ENERGY", false]], "cisd opposite-spin correlation energy": [[1756, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cisd quadrupole": [[1756, "psivar-CISD-QUADRUPOLE", false]], "cisd same-spin correlation energy": [[1756, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", false]], "cisd singles energy": [[1756, "psivar-CISD-SINGLES-ENERGY", false]], "cisd total energy": [[1756, "psivar-CISD-TOTAL-ENERGY", false]], "cisdt correlation energy": [[1756, "psivar-CISDT-CORRELATION-ENERGY", false]], "cisdt total energy": [[1756, "psivar-CISDT-TOTAL-ENERGY", false]], "cisdtq 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"compute_spin_contamination() (psi4.core.hf method)": [[84, "psi4.core.HF.compute_spin_contamination", false]], "compute_state_transfer() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.compute_state_transfer", false]], "compute_thc_factorization() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.compute_thc_factorization", false]], "compute_triples (fnocc)": [[1684, "term-COMPUTE_TRIPLES-FNOCC", true]], "compute_v() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_V", false]], "compute_vx() (psi4.core.vbase method)": [[147, "psi4.core.VBase.compute_Vx", false]], "computed (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.computed", false]], "computed_shells_per_iter() (psi4.core.jk method)": [[92, "psi4.core.JK.computed_shells_per_iter", false]], "computeexternexterninteraction() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computeExternExternInteraction", false]], "computenuclearenergy() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computeNuclearEnergy", false]], "computepotentialmatrix() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.computePotentialMatrix", false]], "computer (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.computer", false]], "conda_prefix": [[1718, "index-20", false], [1718, "index-22", false], [1747, "envvar-CONDA_PREFIX", false]], "connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.connectivity", false]], "consecutive_backsteps (optking)": [[1684, "term-CONSECUTIVE_BACKSTEPS-OPTKING", true]], "constrained": [[1782, "index-2", false]], "construct_from_pydict() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.construct_from_pydict", false]], "contact": [[1761, "index-3", false]], "continuum solvation": [[1734, "index-0", false], [1783, "index-0", false]], 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(psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy_lower_to_upper", false]], "copy_upper_to_lower() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy_upper_to_lower", false]], "core_hamiltonian_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.core_hamiltonian_grad", false]], "corl_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.corl_xtpl_helgaker_2", false]], "corr_ansatz (psimrcc)": [[1684, "term-CORR_ANSATZ-PSIMRCC", true]], "corr_ccsd_t (psimrcc)": [[1684, "term-CORR_CCSD_T-PSIMRCC", true]], "corr_charge (psimrcc)": [[1684, "term-CORR_CHARGE-PSIMRCC", true]], "corr_multp (psimrcc)": [[1684, "term-CORR_MULTP-PSIMRCC", true]], "corr_wfn (psimrcc)": [[1684, "term-CORR_WFN-PSIMRCC", true]], "correlated (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Correlated", false]], "correlationfactor (class in psi4.core)": [[19, "psi4.core.CorrelationFactor", false]], "correlationtable (class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1734, "index-0", false]], "cosx_basis_tolerance (scf)": [[1684, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1684, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1684, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1684, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1684, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1684, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1684, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1684, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1684, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1684, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1813, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1774, "index-1", false]], "coupled_induction (sapt)": [[1684, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1684, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1684, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1684, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1774, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1774, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1756, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1684, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1684, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1684, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1684, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1729, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1718, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1718, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[108, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[101, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[290, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.Ct", false]], "cube": [[1730, "index-0", false]], "cubeprop": [[1730, "index-0", false]], "cubeprop() (in module psi4.driver)": [[291, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1684, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1684, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1684, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1684, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1684, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in psi4.core)": [[21, "psi4.core.CubeProperties", false]], "cubic_basis_tolerance (fisapt)": [[1684, "term-CUBIC_BASIS_TOLERANCE-FISAPT", true]], "cubic_basis_tolerance (globals)": [[1684, "term-CUBIC_BASIS_TOLERANCE-GLOBALS", true]], "cubic_block_max_points (fisapt)": [[1684, "term-CUBIC_BLOCK_MAX_POINTS-FISAPT", true]], "cubic_block_max_points (globals)": [[1684, "term-CUBIC_BLOCK_MAX_POINTS-GLOBALS", true]], "cubic_grid_overage (fisapt)": [[1684, "term-CUBIC_GRID_OVERAGE-FISAPT", true]], "cubic_grid_overage (globals)": [[1684, "term-CUBIC_GRID_OVERAGE-GLOBALS", true]], "cubic_grid_spacing (fisapt)": [[1684, "term-CUBIC_GRID_SPACING-FISAPT", true]], "cubic_grid_spacing (globals)": [[1684, "term-CUBIC_GRID_SPACING-GLOBALS", true]], "cuhf (class in psi4.core)": [[14, "psi4.core.CUHF", false]], "current correlation energy": [[1756, "psivar-CURRENT-CORRELATION-ENERGY", false]], "current dipole": [[1756, "psivar-CURRENT-DIPOLE", false]], "current dipole gradient": [[1756, "psivar-CURRENT-DIPOLE-GRADIENT", false]], "current energy": [[1756, "psivar-CURRENT-ENERGY", false]], "current gradient": [[1756, "psivar-CURRENT-GRADIENT", false]], "current hessian": [[1756, "psivar-CURRENT-HESSIAN", false]], "current reference energy": [[1756, "psivar-CURRENT-REFERENCE-ENERGY", false]], "current_afock() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_AFock", false]], "current_ci_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_ci_energy", false]], "current_docc_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_docc_energy", false]], "current_ifock() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_IFock", false]], "current_total_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_total_energy", false]], "custom scs-lccd correlation energy": [[1756, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1756, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1756, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1756, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1756, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1756, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1756, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1756, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1756, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1756, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1756, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1756, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1756, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1756, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1756, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1756, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1756, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1756, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1756, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1756, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "cutoff (dfocc)": [[1684, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1684, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1684, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[92, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1684, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1684, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1684, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1684, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1818, "index-2", false]], "damping_convergence (scf)": [[1684, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1684, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1684, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1684, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1684, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1684, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[84, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[147, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1732, "index-0", false], [1732, "index-3", false], [1732, "index-4", false], [1815, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1732, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1732, "index-0", false]], "db() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1756, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1756, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1756, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db_subset", false]], "dcalc() (psi4.core.civector method)": [[12, "psi4.core.CIVector.dcalc", false]], "dcopy() (in module psi4.core)": [[24, "psi4.core.DCOPY", false]], "dct": [[1733, "index-0", false]], "dct lambda energy": [[1756, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1756, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1756, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1756, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[173, "psi4.core.dct", false]], "dct_functional (dct)": [[1684, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1684, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1684, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1756, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1734, "index-0", false]], "ddx (globals)": [[1684, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1684, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1684, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1684, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1684, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1684, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1684, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1684, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1684, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1684, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1684, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1684, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1684, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1684, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1684, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1684, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1684, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1684, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1684, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1684, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1684, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1684, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1684, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1684, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1684, "term-DEBUG-CPHF", true]], "debug (globals)": [[1684, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1712, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[174, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[175, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[176, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1684, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1720, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1684, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1684, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1736, "index-0", false], [1751, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.density_tolerance", false]], "deriv (class in psi4.core)": [[61, "psi4.core.Deriv", false]], "deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.deriv", false]], "deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1684, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1684, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[80, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1756, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[177, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1684, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1751, "index-1", false]], "df-mp2": [[1736, "index-0", false], [1736, "index-1", false]], "df_basis_cc (fnocc)": [[1684, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1684, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1684, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1684, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1684, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1684, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1684, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1684, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1684, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1684, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1684, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1684, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1684, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1684, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1684, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1684, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1684, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1684, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1684, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1684, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1684, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1684, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1684, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1684, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1684, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[102, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[178, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1684, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1684, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1684, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[179, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1737, "index-0", false], [1738, "index-0", false], [1764, "index-0", false]], "dft dipole gradient": [[1756, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1756, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1756, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1756, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1756, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1756, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1756, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1684, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1684, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1684, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1684, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1684, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1684, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1684, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1684, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1684, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1684, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1684, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1684, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1684, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1684, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1684, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1684, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1684, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1684, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1684, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1684, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1684, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1684, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1684, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1684, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1684, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1684, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1684, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1684, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1684, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1684, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1684, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1684, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1684, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1684, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1739, "index-0", false]], "dftd4": [[1739, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1740, "index-0", false]], "dgbmv() (in module psi4.core)": [[31, "psi4.core.DGBMV", false]], "dgeev() (in module psi4.core)": [[32, "psi4.core.DGEEV", false]], "dgemm() (in module psi4.core)": [[33, "psi4.core.DGEMM", false]], "dgemv() (in module psi4.core)": [[34, "psi4.core.DGEMV", false]], "dger() (in module psi4.core)": [[35, "psi4.core.DGER", false]], "dgetrf() (in module psi4.core)": [[36, "psi4.core.DGETRF", false]], "dgetri() (in module psi4.core)": [[37, "psi4.core.DGETRI", false]], "dgetrs() (in module psi4.core)": [[38, "psi4.core.DGETRS", false]], "dhf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1684, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1684, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1684, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1684, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1818, "index-2", false]], "diis (ccenergy)": [[1684, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1684, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1684, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[321, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1684, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1684, "term-DIIS-MCSCF", true]], "diis (scf)": [[1684, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[84, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[128, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1684, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1684, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1684, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1684, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1684, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1684, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1684, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1684, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1684, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1684, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1684, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1684, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1684, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1684, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1684, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1684, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1684, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[148, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[148, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1684, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1684, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.dipole_grad", false]], "dipoleint (class in psi4.core)": [[65, "psi4.core.DipoleInt", false]], "directjk (class in psi4.core)": [[66, "psi4.core.DirectJK", false]], "disksomcscf (class in psi4.core)": [[67, "psi4.core.DiskSOMCSCF", false]], "disp (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1684, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1756, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1755, "index-0", false]], "distributed_matrix (scf)": [[1684, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1742, "index-0", false]], "dkh_order (globals)": [[1684, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[180, "psi4.core.dlpno", false]], "dlpno-mp2": [[1743, "index-0", false], [1743, "index-1", false]], "dlpno_algorithm (dlpno)": [[1684, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1684, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1684, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1755, "index-0", false]], "dma distributed multipoles": [[1756, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1756, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[181, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1756, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1756, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1684, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1684, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1684, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1684, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1684, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1684, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1684, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1684, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1684, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1684, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1684, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1684, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1684, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1684, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1684, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1684, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1684, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1684, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1684, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1684, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1684, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1684, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1684, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1684, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1684, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], 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"do_sos (dfocc)": [[1684, "term-DO_SOS-DFOCC", true]], "do_sos (occ)": [[1684, "term-DO_SOS-OCC", true]], "do_third_order (sapt)": [[1684, "term-DO_THIRD_ORDER-SAPT", true]], "docc (globals)": [[1684, "term-DOCC-GLOBALS", true]], "docc (mcscf)": [[1684, "term-DOCC-MCSCF", true]], "doccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.doccpi", false]], "docs_table_link() (in module psi4.driver)": [[292, "psi4.driver.docs_table_link", false]], "docs_table_link() (in module psi4.driver.p4util)": [[343, "psi4.driver.p4util.docs_table_link", false]], "doi_basis_tolerance (dlpno)": [[1684, "term-DOI_BASIS_TOLERANCE-DLPNO", true]], "doi_pruning_scheme (dlpno)": [[1684, "term-DOI_PRUNING_SCHEME-DLPNO", true]], "doi_radial_points (dlpno)": [[1684, "term-DOI_RADIAL_POINTS-DLPNO", true]], "doi_spherical_points (dlpno)": [[1684, "term-DOI_SPHERICAL_POINTS-DLPNO", true]], "domain (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.domain", false]], 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"fci_strings (detci)": [[1684, "term-FCI_STRINGS-DETCI", true]], "fcidump() (in module psi4.driver)": [[297, "psi4.driver.fcidump", false]], "fcidump() (in module psi4.driver.p4util)": [[347, "psi4.driver.p4util.fcidump", false]], "fcidump_from_file() (in module psi4.driver)": [[298, "psi4.driver.fcidump_from_file", false]], "fcidump_from_file() (in module psi4.driver.p4util)": [[348, "psi4.driver.p4util.fcidump_from_file", false]], "fcidump_tei_helper() (in module psi4.core)": [[187, "psi4.core.fcidump_tei_helper", false]], "fctl dispersion correction energy": [[1756, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", false]], "fctldash (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.fctldash", false]], "fctldash (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.fctldash", false]], "fd_project (findif)": [[1684, "term-FD_PROJECT-FINDIF", true]], "fdds_dispersion (class in psi4.core)": [[75, "psi4.core.FDDS_Dispersion", false]], "fdisp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.fdisp", false]], "felst() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.felst", false]], "fexch() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.fexch", false]], "fill() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.fill", false]], "filter_guess (detci)": [[1684, "term-FILTER_GUESS-DETCI", true]], "filter_guess_det1 (detci)": [[1684, "term-FILTER_GUESS_DET1-DETCI", true]], "filter_guess_det2 (detci)": [[1684, "term-FILTER_GUESS_DET2-DETCI", true]], "filter_guess_sign (detci)": [[1684, "term-FILTER_GUESS_SIGN-DETCI", true]], "filter_nonvib() (in module psi4.driver.qcdb.vib)": [[384, "psi4.driver.qcdb.vib.filter_nonvib", false]], "filter_omega_to_real() (in module psi4.driver.qcdb.vib)": [[385, "psi4.driver.qcdb.vib.filter_omega_to_real", false]], "filter_zero_det (detci)": [[1684, "term-FILTER_ZERO_DET-DETCI", true]], "finalize() (in module psi4.core)": [[188, "psi4.core.finalize", false]], "finalize() (psi4.core.hf method)": [[84, "psi4.core.HF.finalize", false]], "finalize() (psi4.core.jk method)": [[92, "psi4.core.JK.finalize", false]], "finalize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.finalize", false]], "finalize_energy() (psi4.core.hf method)": [[84, "psi4.core.HF.finalize_energy", false]], "find() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.find", false]], "find_approximate_string_matches() (in module psi4.driver)": [[299, "psi4.driver.find_approximate_string_matches", false]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[349, "psi4.driver.p4util.find_approximate_string_matches", false]], "find_highest_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.find_highest_point_group", false]], "find_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.find_occupation", false]], "find_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.find_point_group", false]], "findif number": [[1756, "psivar-FINDIF-NUMBER", false]], "findifrec (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.findifrec", false]], "first() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.first", false]], "fisapt": [[1750, "index-0", false]], "fisapt (class in psi4.core)": [[76, "psi4.core.FISAPT", false]], "fisapt_charge_completeness (fisapt)": [[1684, "term-FISAPT_CHARGE_COMPLETENESS-FISAPT", true]], "fisapt_cube_densmat (fisapt)": [[1684, "term-FISAPT_CUBE_DENSMAT-FISAPT", true]], "fisapt_cube_linkibos (fisapt)": [[1684, "term-FISAPT_CUBE_LINKIBOS-FISAPT", true]], "fisapt_cube_linkihos (fisapt)": [[1684, "term-FISAPT_CUBE_LINKIHOS-FISAPT", true]], "fisapt_do_fsapt (fisapt)": [[1684, "term-FISAPT_DO_FSAPT-FISAPT", true]], "fisapt_do_fsapt_disp (fisapt)": [[1684, "term-FISAPT_DO_FSAPT_DISP-FISAPT", true]], "fisapt_do_plot (fisapt)": [[1684, "term-FISAPT_DO_PLOT-FISAPT", true]], "fisapt_exch_parperp (fisapt)": [[1684, "term-FISAPT_EXCH_PARPERP-FISAPT", true]], "fisapt_fsapt_exch_scale (fisapt)": [[1684, "term-FISAPT_FSAPT_EXCH_SCALE-FISAPT", true]], "fisapt_fsapt_filepath (fisapt)": [[1684, "term-FISAPT_FSAPT_FILEPATH-FISAPT", true]], "fisapt_fsapt_ind_response (fisapt)": [[1684, "term-FISAPT_FSAPT_IND_RESPONSE-FISAPT", true]], "fisapt_fsapt_ind_scale (fisapt)": [[1684, "term-FISAPT_FSAPT_IND_SCALE-FISAPT", true]], "fisapt_fssapt_filepath (fisapt)": [[1684, "term-FISAPT_FSSAPT_FILEPATH-FISAPT", true]], "fisapt_link_assignment (fisapt)": [[1684, "term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1684, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1684, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1684, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1684, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1684, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[77, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[78, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1684, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[189, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1751, "index-0", false]], "fno-ccsd(t)": [[1751, "index-1", false]], "fno-mp4": [[1751, "index-1", false]], "fno-qcisd(t)": [[1751, "index-1", false]], "fnocc": [[1751, "index-2", false], [1751, "index-3", false]], "fnocc() (in module psi4.core)": [[190, "psi4.core.fnocc", false]], "follow_root (detci)": [[1684, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1684, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1684, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1684, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1684, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1684, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1684, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1684, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[84, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[84, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[84, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_F", false]], "form_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_opdm", false]], "form_qr_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.form_symmetry_information", false]], "form_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_tpdm", false]], "form_unc_amplitude() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[84, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1684, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1684, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1748, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1684, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1684, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[84, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1684, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1748, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1684, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1684, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1684, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[79, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_core (globals)": [[1684, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1684, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1684, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1684, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1684, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1752, "index-0", false]], "freq() (in module psi4.driver)": [[300, "psi4.driver.freq", false]], "frequencies()": [[1752, "index-0", false]], "frequencies() (in module psi4.driver)": [[301, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1752, "index-0", false]], "frequency() (in module psi4.driver)": [[302, "psi4.driver.frequency", false]], "frequency();": [[1752, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[106, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.from_file", false]], "from_list() (psi4.core.dimension class method)": [[64, "psi4.core.Dimension.from_list", false]], "from_list() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1751, "index-0", false]], "frozen natural orbitals": [[1751, "index-1", false]], "frozen_bend (optking)": [[1684, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1684, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1684, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1684, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1684, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1684, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1684, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1684, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1684, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1752, "index-0", false], [1780, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.function_index", false]], "function_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_center", false]], "function_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_shell", false]], "functional (class in psi4.core)": [[80, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[84, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[147, "psi4.core.VBase.functional", false]], "functionals": [[1764, "index-0", false]], "functions_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.functions_local_to_global", false]], "fx() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fZ", false], [106, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1684, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1753, "index-0", false]], "gauge (adc)": [[1684, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1684, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1684, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1749, "index-0", false]], "gaussianshell (class in psi4.core)": [[81, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[82, "psi4.core.GaussianType", false]], "gcp": [[1754, "index-0", false]], "gdma": [[1755, "index-0", false]], "gdma() (in module psi4.driver)": [[303, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1684, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1684, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1684, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1684, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1684, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1812, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1684, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1780, "index-0", false], [1782, "index-1", false], [1782, "index-2", false], [1782, "index-3", false], [1782, "index-4", false]], "geometry optimization, optimization": [[1782, "index-0", false]], "geometry() (in module psi4.driver)": [[304, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[83, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[148, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[191, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_algorithm", false]], "get_amplitudes() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.get_amplitudes", false]], "get_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_core", false]], "get_ao_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_size", false]], "get_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[192, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[193, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[114, "psi4.core.Options.get_bool", false]], "get_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_COSX_grid", false]], "get_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[194, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_density", false]], "get_dimension() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_dimension", false]], "get_dipole_field_strength() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[114, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[195, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[196, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[114, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[114, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[197, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[198, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[305, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.get_memory", false]], "get_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_memory", false]], "get_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_memory", false]], "get_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_method", false]], "get_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.get_mix_data", false]], "get_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_MO_core", false]], "get_np_xyzw() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[199, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_beta", false]], "get_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_opdm", false]], "get_option() (in module psi4.core)": [[200, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[201, "psi4.core.get_options", false]], "get_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_orbitals", false]], "get_output_file() (in module psi4.core)": [[202, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_reverse_pivots", false]], "get_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_schwarz_cutoff", false]], "get_scratch_filename() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[114, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_tei_already_presorted", false]], "get_tensor() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor", false]], "get_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.get_tensor_pqQ", false]], "get_tensor_shape() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_shape", false]], "get_tensor_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_size", false]], "get_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_tpdm", false]], "get_variable() (in module psi4.core)": [[203, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[204, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[205, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[86, "psi4.core.IO.getpid", false]], "ghost": [[1813, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1813, "index-3", false]], "gibbs free energy": [[1756, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1756, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[206, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1780, "index-0", false]], "gradient() (in module psi4.driver)": [[306, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1684, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1756, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1756, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1756, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[147, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1684, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[84, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1684, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1684, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1684, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1684, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1684, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1684, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1684, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1684, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1684, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1684, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1684, "term-H_UPDATE_DEN_TOL-OPTKING", true]], "hamiltonian() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.hamiltonian", false]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1823, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1818, "index-0", false]], "has_array_variable() (in module psi4.core)": [[207, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_array_variable", false]], "has_ecp() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_ECP", false]], "has_global_option_changed() (in module psi4.core)": [[208, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[209, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[210, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_potential_variable", false]], "has_puream() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_puream", false]], "has_scalar_variable() (in module psi4.core)": [[211, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[212, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1684, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1684, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1684, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1684, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1684, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1684, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1684, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1684, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1684, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1684, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1752, "index-0", false]], "hessian() (in module psi4.driver)": [[307, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1684, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1818, "index-0", false]], "hf (class in psi4.core)": [[84, "psi4.core.HF", false]], "hf dipole gradient": [[1756, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1756, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1756, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1756, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1756, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1756, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1756, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1817, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module psi4.driver.p4util)": [[357, "psi4.driver.p4util.hold_options_state", false]], "host": [[1718, "index-21", false], [1718, "index-23", false], [1747, "envvar-HOST", false]], "i() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.i", false]], "icore (detci)": [[1684, "term-ICORE-DETCI", true]], "id() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.id", false]], "idamax() (in module psi4.core)": [[85, "psi4.core.IDAMAX", false]], "identity() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.identity", false]], "idfmo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Idfmo", false]], "imo() (psi4.core.dftensor method)": [[30, "psi4.core.DFTensor.Imo", false]], "import_ignorecase() (in module psi4.driver.p4util)": [[358, "psi4.driver.p4util.import_ignorecase", false]], "incfock (scf)": [[1684, "term-INCFOCK-SCF", true]], "incfock_convergence (scf)": [[1684, "term-INCFOCK_CONVERGENCE-SCF", true]], "incfock_full_fock_every (scf)": [[1684, "term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1684, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[148, "psi4.core.Vector.init", false]], "init_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.init_io_files", false]], "initialize() (in module psi4.core)": [[213, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[92, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1718, "index-0", false]], "intcos_generate_exit (optking)": [[1684, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() 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(optking)": [[1684, "term-INTERFRAG_COORDS-OPTKING", true]], "interfrag_dist_inv (optking)": [[1684, "term-INTERFRAG_DIST_INV-OPTKING", true]], "interfrag_hess (optking)": [[1684, "term-INTERFRAG_HESS-OPTKING", true]], "interfrag_mode (optking)": [[1684, "term-INTERFRAG_MODE-OPTKING", true]], "interfrag_step_limit (optking)": [[1684, "term-INTERFRAG_STEP_LIMIT-OPTKING", true]], "interfragment_connect (optking)": [[1684, "term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1684, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1684, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1684, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1684, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1684, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1684, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1684, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1684, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1684, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1684, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1684, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1684, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[88, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[86, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[87, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[88, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1748, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1684, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[308, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1748, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1782, "index-2", false]], "irc_direction (optking)": [[1684, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1684, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1684, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[91, "psi4.core.IrreducibleRepresentation", false]], "irrep() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep", false]], "irrep_index() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep_index", false]], "irrep_labels() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_cartesian", false]], "is_done() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.is_done", false]], "is_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() 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(psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.iteration", false]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.iteration", false]], "iteration_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.iteration_", false]], "iteration_energies (psi4.core.hf attribute)": [[84, "psi4.core.HF.iteration_energies", false]], "iterations() (psi4.core.hf method)": [[84, "psi4.core.HF.iterations", false]], "j() (psi4.core.jk method)": [[92, "psi4.core.JK.J", false]], "jk (class in psi4.core)": [[92, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[84, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1684, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[92, "psi4.core.JK.K", false]], "keywords": [[1720, "index-0", false], [1732, "index-0", false], [1741, "index-0", false], [1746, "index-0", false], [1752, "index-0", false], [1774, "index-1", false], [1780, "index-0", false], [1806, "index-0", false], [1812, "index-2", false], [1813, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1684, "term-KIND-ADC", true]], "kinetic() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.kinetic", false]], "kinetic_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.kinetic_grad", false]], "kineticint (class in psi4.core)": [[93, "psi4.core.KineticInt", false]], "kwargs_lower() (in module psi4.driver.p4util)": [[359, "psi4.driver.p4util.kwargs_lower", false]], "l (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.L", false]], "label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.label", false]], "label() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.label", false]], "lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.lagrangian", false]], "laplacedenominator (class in psi4.core)": [[95, "psi4.core.LaplaceDenominator", false]], "lcc2 (+lmp2) total energy": [[1756, "psivar-LCC2-LMP2-TOTAL-ENERGY", false]], "lccd correlation energy": [[1756, "psivar-LCCD-CORRELATION-ENERGY", false]], "lccd doubles energy": [[1756, "psivar-LCCD-DOUBLES-ENERGY", false]], "lccd opposite-spin correlation energy": [[1756, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1756, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1756, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1756, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1751, "index-1", false]], "lccsd (+lmp2) total energy": [[1756, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd 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"term-LOCAL_CPHF_CUTOFF-CCENERGY", true]], "local_cphf_cutoff (cclambda)": [[1684, "term-LOCAL_CPHF_CUTOFF-CCLAMBDA", true]], "local_cphf_cutoff (ccresponse)": [[1684, "term-LOCAL_CPHF_CUTOFF-CCRESPONSE", true]], "local_cutoff (ccenergy)": [[1684, "term-LOCAL_CUTOFF-CCENERGY", true]], "local_cutoff (cceom)": [[1684, "term-LOCAL_CUTOFF-CCEOM", true]], "local_cutoff (cclambda)": [[1684, "term-LOCAL_CUTOFF-CCLAMBDA", true]], "local_cutoff (ccresponse)": [[1684, "term-LOCAL_CUTOFF-CCRESPONSE", true]], "local_do_singles (cceom)": [[1684, "term-LOCAL_DO_SINGLES-CCEOM", true]], "local_filter_singles (cceom)": [[1684, "term-LOCAL_FILTER_SINGLES-CCEOM", true]], "local_filter_singles (cclambda)": [[1684, "term-LOCAL_FILTER_SINGLES-CCLAMBDA", true]], "local_filter_singles (ccresponse)": [[1684, "term-LOCAL_FILTER_SINGLES-CCRESPONSE", true]], "local_ibo_condition (fisapt)": [[1684, "term-LOCAL_IBO_CONDITION-FISAPT", true]], "local_ibo_power (fisapt)": [[1684, "term-LOCAL_IBO_POWER-FISAPT", true]], "local_ibo_stars (fisapt)": [[1684, "term-LOCAL_IBO_STARS-FISAPT", true]], "local_ibo_stars_completeness (fisapt)": [[1684, "term-LOCAL_IBO_STARS_COMPLETENESS-FISAPT", true]], "local_ibo_use_stars (fisapt)": [[1684, "term-LOCAL_IBO_USE_STARS-FISAPT", true]], "local_maxiter (dlpno)": [[1684, "term-LOCAL_MAXITER-DLPNO", true]], "local_maxiter (fisapt)": [[1684, "term-LOCAL_MAXITER-FISAPT", true]], "local_maxiter (scf)": [[1684, "term-LOCAL_MAXITER-SCF", true]], "local_method (ccenergy)": [[1684, "term-LOCAL_METHOD-CCENERGY", true]], "local_method (cceom)": [[1684, "term-LOCAL_METHOD-CCEOM", true]], "local_method (cclambda)": [[1684, "term-LOCAL_METHOD-CCLAMBDA", true]], "local_method (ccresponse)": [[1684, "term-LOCAL_METHOD-CCRESPONSE", true]], "local_pairdef (ccenergy)": [[1684, "term-LOCAL_PAIRDEF-CCENERGY", true]], "local_pairdef (cclambda)": [[1684, "term-LOCAL_PAIRDEF-CCLAMBDA", true]], "local_pairdef (ccresponse)": [[1684, "term-LOCAL_PAIRDEF-CCRESPONSE", true]], 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psi4.driver.p4util)": [[325, "psi4.driver.p4util.Lorentzian", false]], "lowdin charges": [[1756, "psivar-LOWDIN-CHARGES", false]], "lowertriangle (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.LowerTriangle", false]], "ls_thc_basis_tolerance (globals)": [[1684, "term-LS_THC_BASIS_TOLERANCE-GLOBALS", true]], "ls_thc_computer (class in psi4.core)": [[94, "psi4.core.LS_THC_Computer", false]], "ls_thc_df (globals)": [[1684, "term-LS_THC_DF-GLOBALS", true]], "ls_thc_pruning_scheme (globals)": [[1684, "term-LS_THC_PRUNING_SCHEME-GLOBALS", true]], "ls_thc_radial_points (globals)": [[1684, "term-LS_THC_RADIAL_POINTS-GLOBALS", true]], "ls_thc_s_epsilon (globals)": [[1684, "term-LS_THC_S_EPSILON-GLOBALS", true]], "ls_thc_spherical_points (globals)": [[1684, "term-LS_THC_SPHERICAL_POINTS-GLOBALS", true]], "ls_thc_weights_tolerance (globals)": [[1684, "term-LS_THC_WEIGHTS_TOLERANCE-GLOBALS", true]], "lsda_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.lsda_cutoff", false]], "lse (detci)": [[1684, "term-LSE-DETCI", true]], "lse_collapse (detci)": [[1684, "term-LSE_COLLAPSE-DETCI", true]], "lse_tolerance (detci)": [[1684, "term-LSE_TOLERANCE-DETCI", true]], "madmp2_sleep (dfmp2)": [[1684, "term-MADMP2_SLEEP-DFMP2", true]], "make_filename() (psi4.core.basisset static method)": [[8, "psi4.core.BasisSet.make_filename", false]], "managedmethoderror": [[268, "psi4.driver.ManagedMethodError", false]], "mark_file_for_retention() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.mark_file_for_retention", false]], "mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.mass", false]], "mass_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.mass_number", false]], "mat2arr() (in module psi4.driver.p4util)": [[363, "psi4.driver.p4util.mat2arr", false]], "mat_num_column_print (globals)": [[1684, "term-MAT_NUM_COLUMN_PRINT-GLOBALS", true]], "math_root": [[1718, "envvar-MATH_ROOT", false]], 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"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)": [[105, "psi4.core.MolecularGrid.max_points", false]], "max_points() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.max_points", false]], "max_radial_moment (globals)": [[1684, "term-MAX_RADIAL_MOMENT-GLOBALS", true]], "maximum() (psi4.driver.p4util.gaussian method)": [[322, "psi4.driver.p4util.Gaussian.maximum", false]], "maximum() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.maximum", false]], "maximum() (psi4.driver.p4util.lorentzian method)": [[325, "psi4.driver.p4util.Lorentzian.maximum", false]], "maxiter (adc)": [[1684, "term-MAXITER-ADC", true]], "maxiter (ccenergy)": [[1684, "term-MAXITER-CCENERGY", true]], "maxiter (cceom)": [[1684, "term-MAXITER-CCEOM", true]], "maxiter (cclambda)": [[1684, "term-MAXITER-CCLAMBDA", true]], "maxiter (ccresponse)": [[1684, "term-MAXITER-CCRESPONSE", true]], "maxiter (dct)": [[1684, "term-MAXITER-DCT", true]], "maxiter (fisapt)": [[1684, "term-MAXITER-FISAPT", true]], "maxiter (fnocc)": [[1684, "term-MAXITER-FNOCC", true]], "maxiter (mcscf)": [[1684, "term-MAXITER-MCSCF", true]], "maxiter (pe)": [[1684, "term-MAXITER-PE", true]], "maxiter (psimrcc)": [[1684, "term-MAXITER-PSIMRCC", true]], "maxiter (sapt)": [[1684, "term-MAXITER-SAPT", true]], "maxiter (scf)": [[1684, "term-MAXITER-SCF", true]], "maxr() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.maxR", false]], "mayer indices": [[1756, "psivar-MAYER-INDICES", false]], "mbis": [[1779, "index-1", false]], "mbis charges": [[1756, "psivar-MBIS-CHARGES", false]], "mbis dipoles": [[1756, "psivar-MBIS-DIPOLES", false]], "mbis free atom n volume": [[1756, "psivar-MBIS-FREE-ATOM-n-VOLUME", false]], "mbis octupoles": [[1756, "psivar-MBIS-OCTUPOLES", false]], "mbis quadrupoles": [[1756, "psivar-MBIS-QUADRUPOLES", false]], "mbis radial moments <r^3>": [[1756, "psivar-MBIS-RADIAL-MOMENTS-R-3", false]], "mbis valence widths": [[1756, "psivar-MBIS-VALENCE-WIDTHS", false]], "mbis volume ratios": [[1756, "psivar-MBIS-VOLUME-RATIOS", false]], "mbis_d_convergence (globals)": [[1684, "term-MBIS_D_CONVERGENCE-GLOBALS", true]], "mbis_maxiter (globals)": [[1684, "term-MBIS_MAXITER-GLOBALS", true]], "mbis_pruning_scheme (globals)": [[1684, "term-MBIS_PRUNING_SCHEME-GLOBALS", true]], "mbis_radial_points (globals)": [[1684, "term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1684, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1769, "index-0", false], [1769, "index-1", false]], "mcscf total energy": [[1756, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[215, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1684, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1684, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type (detci)": [[1684, "term-MCSCF_DIIS_ERROR_TYPE-DETCI", true]], "mcscf_diis_freq (detci)": [[1684, "term-MCSCF_DIIS_FREQ-DETCI", true]], "mcscf_diis_max_vecs (detci)": [[1684, "term-MCSCF_DIIS_MAX_VECS-DETCI", true]], "mcscf_diis_start (detci)": [[1684, "term-MCSCF_DIIS_START-DETCI", true]], "mcscf_dpd_cleanup (detci)": [[1684, "term-MCSCF_DPD_CLEANUP-DETCI", true]], "mcscf_e_convergence (detci)": [[1684, "term-MCSCF_E_CONVERGENCE-DETCI", true]], "mcscf_guess (detci)": [[1684, "term-MCSCF_GUESS-DETCI", true]], "mcscf_max_rot (detci)": [[1684, "term-MCSCF_MAX_ROT-DETCI", true]], "mcscf_maxiter (detci)": [[1684, "term-MCSCF_MAXITER-DETCI", true]], "mcscf_object() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.mcscf_object", false]], "mcscf_r_convergence (detci)": [[1684, "term-MCSCF_R_CONVERGENCE-DETCI", true]], "mcscf_rotate (detci)": [[1684, "term-MCSCF_ROTATE-DETCI", true]], "mcscf_so_start_e (detci)": [[1684, "term-MCSCF_SO_START_E-DETCI", true]], "mcscf_so_start_grad (detci)": [[1684, "term-MCSCF_SO_START_GRAD-DETCI", true]], "mcscf_type (detci)": [[1684, "term-MCSCF_TYPE-DETCI", true]], "mdi_run() (in module psi4.driver)": [[312, "psi4.driver.mdi_run", false]], "memdfjk (class in psi4.core)": [[102, "psi4.core.MemDFJK", false]], "memory": [[1812, "index-1", false]], "memory_estimate() (psi4.core.jk method)": [[92, "psi4.core.JK.memory_estimate", false]], "message (psi4.driver.convergenceerror attribute)": [[266, "psi4.driver.ConvergenceError.message", false]], "message (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.message", false]], "message (psi4.driver.missingmethoderror attribute)": [[269, "psi4.driver.MissingMethodError.message", false]], "message (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.message", false]], "message (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.message", false]], "message (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.message", false]], "message (psi4.driver.testcomparisonerror attribute)": [[278, "psi4.driver.TestComparisonError.message", false]], "message (psi4.driver.validationerror attribute)": [[280, "psi4.driver.ValidationError.message", false]], "message_box() (in module psi4.driver)": [[313, "psi4.driver.message_box", false]], "message_box() (in module psi4.driver.p4util)": [[364, "psi4.driver.p4util.message_box", false]], "meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.meta_cutoff", false]], "metadata (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.metadata", false]], "metameta (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.metameta", false]], "metameta (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.metameta", false]], "method (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.method", false]], "method (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.method", false]], "method (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.method", false]], "method (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.method", false]], "method alias": [[1814, "index-0", false]], "metric() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.metric", false]], "metric_inv() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.metric_inv", false]], "min_ccd_diisvecs (sapt)": [[1684, "term-MIN_CCD_DIISVECS-SAPT", true]], "minao_basis (fisapt)": [[1684, "term-MINAO_BASIS-FISAPT", true]], "minima": [[1782, "index-1", false]], "mintshelper (class in psi4.core)": [[103, "psi4.core.MintsHelper", false]], "mintshelper() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.mintshelper", false]], "mintshelper() (psi4.core.rhf method)": [[128, "psi4.core.RHF.mintshelper", false]], "mintshelper() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.mintshelper", false]], "mintshelper() (psi4.core.uhf method)": [[145, "psi4.core.UHF.mintshelper", false]], "mintshelper() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.mintshelper", false]], "missingmethoderror": [[269, "psi4.driver.MissingMethodError", false]], "mixed (detci)": [[1684, "term-MIXED-DETCI", true]], "mixed4 (detci)": [[1684, "term-MIXED4-DETCI", true]], "mk-mrcc": [[1809, "index-0", false]], "mkl_num_threads": [[1747, "envvar-MKL_NUM_THREADS", false], [1747, "index-8", false]], "mkl_root": [[1718, "envvar-MKL_ROOT", false]], "mo_diis_num_vecs (dfocc)": [[1684, "term-MO_DIIS_NUM_VECS-DFOCC", true]], "mo_elec_dip_deriv1() 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"psi4.core.MintsHelper.mo_oei_deriv1", false]], "mo_oei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_oei_deriv2", false]], "mo_overlap_half_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_overlap_half_deriv1", false]], "mo_read (mcscf)": [[1684, "term-MO_READ-MCSCF", true]], "mo_read (occ)": [[1684, "term-MO_READ-OCC", true]], "mo_spin_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_spin_eri", false]], "mo_step_max (dfocc)": [[1684, "term-MO_STEP_MAX-DFOCC", true]], "mo_step_max (occ)": [[1684, "term-MO_STEP_MAX-OCC", true]], "mo_tei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_tei_deriv1", false]], "mo_tei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_tei_deriv2", false]], "mo_transform() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.mo_transform", false]], "mo_write (occ)": [[1684, "term-MO_WRITE-OCC", true]], "module": [[1752, "module-psi4.driver.qcdb.vib", false], [1807, "module-psi4.core", false], [1807, "module-psi4.driver", false], [1807, "module-psi4.driver.p4util", false]], "module (cphf)": [[1684, "term-MODULE-CPHF", true]], "module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.module", false]], "mofa() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFa", false]], "mofb() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFb", false]], "mofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.moFeff", false]], "mograd_damping (occ)": [[1684, "term-MOGRAD_DAMPING-OCC", true]], "molden": [[1771, "index-0", false]], "molden() (in module psi4.driver)": [[314, "psi4.driver.molden", false]], "molden_with_virtual (globals)": [[1684, "term-MOLDEN_WITH_VIRTUAL-GLOBALS", true]], "molden_write (dfocc)": [[1684, "term-MOLDEN_WRITE-DFOCC", true]], "molden_write (scf)": [[1684, "term-MOLDEN_WRITE-SCF", true]], "moldenwriter (class in psi4.core)": [[104, "psi4.core.MoldenWriter", false]], 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"term-MOM_VIR-SCF", true]], "montage": [[1730, "envvar-MONTAGE", false], [1730, "index-2", false]], "mospace (class in psi4.core)": [[98, "psi4.core.MOSpace", false]], "move_atom() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.move_atom", false]], "move_to_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.move_to_com", false]], "mowriter (class in psi4.core)": [[99, "psi4.core.MOWriter", false]], "mp2": [[1736, "index-0", false]], "mp2 alpha-alpha pair energies": [[1756, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", false]], "mp2 alpha-beta pair energies": [[1756, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", false]], "mp2 correlation energy": [[1756, "psivar-MP2-CORRELATION-ENERGY", false]], "mp2 dipole gradient": [[1756, "psivar-MP2-DIPOLE-GRADIENT", false]], "mp2 doubles energy": [[1756, "psivar-MP2-DOUBLES-ENERGY", false]], "mp2 opposite-spin correlation energy": [[1756, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2 same-spin correlation energy": [[1756, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1756, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1756, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1756, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1756, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1756, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1756, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1756, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1756, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1756, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1756, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1756, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1756, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total 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"term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1684, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1684, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1684, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1684, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1684, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1756, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1756, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1756, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1756, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1756, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1756, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1751, "index-1", false]], "mp4 correlation energy": [[1756, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1756, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1756, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1756, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1756, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1756, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1756, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1684, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1684, "term-MPN-DETCI", true]], "mpn correlation energy": [[1756, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1756, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1684, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1684, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1684, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1772, "index-0", false]], "mrcc total energy": [[1756, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[216, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1684, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[217, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1684, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1684, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1684, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1684, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1684, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1684, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1756, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1684, "term-MS0-DETCI", true]], "mtd 128-pole": [[1756, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1756, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1756, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1756, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1756, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1756, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1756, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1756, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1769, "index-2", false]], "multiple fragments": [[1813, "index-7", false]], "multiple in input file": [[1813, "index-1", false]], "multiple within molecule": [[1710, "index-1", false]], "multiplicity": [[1813, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[107, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[108, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1809, "index-0", false]], "n() 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"name (psi4.core.dimension attribute)": [[64, "psi4.core.Dimension.name", false]], "name (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[88, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[148, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.name", false]], "name() (psi4.core.functional method)": [[80, "psi4.core.Functional.name", false]], "name() (psi4.core.jk method)": [[92, "psi4.core.JK.name", false]], "name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.name", false]], "name() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.name", false]], "name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.name", false]], "name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.name", false]], "nao() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nao", false]], "nat_orbs (detci)": [[1684, "term-NAT_ORBS-DETCI", true]], "nat_orbs (dfocc)": [[1684, "term-NAT_ORBS-DFOCC", true]], "nat_orbs (fnocc)": [[1684, "term-NAT_ORBS-FNOCC", true]], "nat_orbs (occ)": [[1684, "term-NAT_ORBS-OCC", true]], "nat_orbs_t2 (sapt)": [[1684, "term-NAT_ORBS_T2-SAPT", true]], "nat_orbs_t3 (sapt)": [[1684, "term-NAT_ORBS_T3-SAPT", true]], "nat_orbs_v4 (sapt)": [[1684, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1756, "psivar-NAUX-CC", false]], "naux (scf)": [[1756, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[147, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1756, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1756, "psivar-NBODY-NUMBER", false]], "nbody() (in 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"term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.new_vector", false]], "next() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.next", false]], "nfragments (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nfragments", false]], "nfrzc() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nfrzc", false]], "nfunction (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.nfunction", false]], "ngamma() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.ngamma", false]], "nil() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.nil", false]], "nirrep() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.nirrep", false]], "nirrep() 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false]], "no_singles (psimrcc)": [[1684, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1774, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1684, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[148, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[148, 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"psi4.core.Wavefunction.nso", false]], "nsopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nsopi", false]], "nuclear repulsion energy": [[1756, "psivar-NUCLEAR-REPULSION-ENERGY", false]], "nuclear() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.nuclear", false]], "nuclear_dipole() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_dipole", false]], "nuclear_repulsion_energy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy", false]], "nuclear_repulsion_energy_deriv1() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy_deriv1", false]], "nuclear_repulsion_energy_deriv2() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy_deriv2", false]], "num_amps_print (ccenergy)": [[1684, "term-NUM_AMPS_PRINT-CCENERGY", true]], "num_amps_print (cceom)": [[1684, "term-NUM_AMPS_PRINT-CCEOM", true]], "num_amps_print (cclambda)": [[1684, "term-NUM_AMPS_PRINT-CCLAMBDA", true]], "num_amps_print (ccresponse)": [[1684, "term-NUM_AMPS_PRINT-CCRESPONSE", true]], "num_amps_print (detci)": [[1684, "term-NUM_AMPS_PRINT-DETCI", true]], "num_core_orbitals (adc)": [[1684, "term-NUM_CORE_ORBITALS-ADC", true]], "num_dets_print (detci)": [[1684, "term-NUM_DETS_PRINT-DETCI", true]], "num_frozen_docc (globals)": [[1684, "term-NUM_FROZEN_DOCC-GLOBALS", true]], "num_frozen_uocc (globals)": [[1684, "term-NUM_FROZEN_UOCC-GLOBALS", true]], "num_guesses (adc)": [[1684, "term-NUM_GUESSES-ADC", true]], "num_init_vecs (detci)": [[1684, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1684, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[110, "psi4.core.NumIntHelper", false]], "numpy": [[1777, "index-0", false]], "occ() (in module psi4.core)": [[218, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[98, 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psi4.driver)": [[317, "psi4.driver.oeprop", false]], "oeprop() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.oeprop", false]], "offdiagonal_ccsd_t (psimrcc)": [[1684, "term-OFFDIAGONAL_CCSD_T-PSIMRCC", true]], "olccd": [[1778, "index-1", false], [1778, "index-5", false]], "olccd correlation energy": [[1756, "psivar-OLCCD-CORRELATION-ENERGY", false]], "olccd doubles energy": [[1756, "psivar-OLCCD-DOUBLES-ENERGY", false]], "olccd opposite-spin correlation energy": [[1756, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "olccd reference correction energy": [[1756, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", false]], "olccd same-spin correlation energy": [[1756, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "olccd singles energy": [[1756, "psivar-OLCCD-SINGLES-ENERGY", false]], "olccd total energy": [[1756, "psivar-OLCCD-TOTAL-ENERGY", false]], "omega (ccresponse)": [[1684, "term-OMEGA-CCRESPONSE", true]], "omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.omega", false]], "omega_erf (mints)": [[1684, "term-OMEGA_ERF-MINTS", true]], "omp2": [[1778, "index-1", false], [1778, "index-2", false]], "omp2 correlation energy": [[1756, "psivar-OMP2-CORRELATION-ENERGY", false]], "omp2 doubles energy": [[1756, "psivar-OMP2-DOUBLES-ENERGY", false]], "omp2 opposite-spin correlation energy": [[1756, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2 reference correction energy": [[1756, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", false]], "omp2 same-spin correlation energy": [[1756, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2 total energy": [[1756, "psivar-OMP2-TOTAL-ENERGY", false]], "omp2.5": [[1778, "index-4", false]], "omp2.5 correlation energy": [[1756, "psivar-OMP2.5-CORRELATION-ENERGY", false]], "omp2.5 doubles energy": [[1756, "psivar-OMP2.5-DOUBLES-ENERGY", false]], "omp2.5 opposite-spin correlation energy": [[1756, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2.5 reference correction energy": [[1756, "psivar-OMP2.5-REFERENCE-CORRECTION-ENERGY", false]], "omp2.5 same-spin correlation energy": [[1756, "psivar-OMP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2.5 total energy": [[1756, "psivar-OMP2.5-TOTAL-ENERGY", false]], "omp3": [[1778, "index-1", false], [1778, "index-3", false]], "omp3 correlation energy": [[1756, "psivar-OMP3-CORRELATION-ENERGY", false]], "omp3 doubles energy": [[1756, "psivar-OMP3-DOUBLES-ENERGY", false]], "omp3 opposite-spin correlation energy": [[1756, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp3 reference correction energy": [[1756, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", false]], "omp3 same-spin correlation energy": [[1756, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", false]], "omp3 total energy": [[1756, "psivar-OMP3-TOTAL-ENERGY", false]], "omp_nested": [[1736, "index-2", false], [1736, "index-3", false], [1747, "envvar-OMP_NESTED", false]], "omp_num_threads": [[661, "index-0", false], [1206, "index-0", false], [1224, "index-0", false], [1240, "index-0", false], [1684, "index-0", false], [1684, "index-1", false], [1723, "index-9", false], [1747, "envvar-OMP_NUM_THREADS", false], [1747, "index-14", false], [1747, "index-7", false]], "one-electron energy": [[1756, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[112, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[113, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1684, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1684, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1684, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1684, "term-OPDM-DCT", true]], "opdm (detci)": [[1684, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.opdm", false]], "opdm_only (ccdensity)": [[1684, "term-OPDM_ONLY-CCDENSITY", true]], "opdm_relax (ccdensity)": [[1684, "term-OPDM_RELAX-CCDENSITY", true]], "opdm_relax (dfmp2)": [[1684, "term-OPDM_RELAX-DFMP2", true]], "open() (psi4.core.io method)": [[86, "psi4.core.IO.open", false]], "open_check() (psi4.core.io method)": [[86, "psi4.core.IO.open_check", false]], "operate() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.operate", false]], "opt()": [[1780, "index-0", false]], "opt() (in module psi4.driver)": [[318, "psi4.driver.opt", false]], "opt_coordinates (optking)": [[1684, "term-OPT_COORDINATES-OPTKING", true]], "opt_method (dfocc)": [[1684, "term-OPT_METHOD-DFOCC", true]], "opt_method (occ)": [[1684, "term-OPT_METHOD-OCC", true]], "opt_restart (optking)": [[1684, "term-OPT_RESTART-OPTKING", true]], "opt_type (optking)": [[1684, "term-OPT_TYPE-OPTKING", true]], "optimization iterations": [[1756, "psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[270, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1780, "index-0", false]], "optimize() (in module psi4.driver)": [[319, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[320, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[219, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[114, "psi4.core.Options", false]], "options() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.options", false]], "options_to_python() (in module psi4.core)": [[220, "psi4.core.options_to_python", false]], "optionsstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionsState", false]], "optionsstatecm() (in module psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsStateCM", false]], "optionstate (class in psi4.driver.p4util)": [[326, "psi4.driver.p4util.OptionState", false]], "orb_opt (dfocc)": [[1684, "term-ORB_OPT-DFOCC", true]], "orb_opt (occ)": [[1684, "term-ORB_OPT-OCC", true]], "orb_resp_solver (dfocc)": [[1684, "term-ORB_RESP_SOLVER-DFOCC", true]], "orb_resp_solver (occ)": [[1684, "term-ORB_RESP_SOLVER-OCC", true]], "orbital-optimized methods": [[1778, "index-1", false]], "orbital-optimized methods, olccd": [[1778, "index-0", false]], "orbital-optimized methods, omp2": [[1778, "index-0", false]], "orbital-optimized methods, omp2.5": [[1778, "index-0", false]], "orbital-optimized methods, omp3": [[1778, "index-0", false]], "orbital_level_shift (dct)": [[1684, "term-ORBITAL_LEVEL_SHIFT-DCT", true]], "orbital_values() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.orbital_values", false]], "orbitals_write (scf)": [[1684, "term-ORBITALS_WRITE-SCF", true]], "orbitalspace (class in psi4.core)": [[115, "psi4.core.OrbitalSpace", false]], "order() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.order", false]], "order() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.order", false]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.ordered_params", false]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params", false]], "oremp": [[1778, "index-6", false]], "oremp2 correlation energy": [[1756, "psivar-OREMP2-CORRELATION-ENERGY", false]], "oremp2 doubles energy": [[1756, "psivar-OREMP2-DOUBLES-ENERGY", false]], "oremp2 opposite-spin correlation energy": [[1756, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "oremp2 reference correction energy": [[1756, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", false]], "oremp2 same-spin correlation energy": [[1756, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "oremp2 singles energy": [[1756, "psivar-OREMP2-SINGLES-ENERGY", false]], "oremp2 total energy": [[1756, "psivar-OREMP2-TOTAL-ENERGY", false]], "orientation() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.orientation", false]], "orientation_fixed() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.orientation_fixed", false]], "origin (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.origin", false]], "original_coef() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.original_coef", false]], "orth_type (dfocc)": [[1684, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1684, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1684, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[221, "psi4.core.outfile_name", false]], "output": [[1720, "index-2", false], [1732, "index-3", false], [1782, "index-4", false], [1817, "index-5", false], [1823, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.overlap", false]], "overlap_3c() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.overlap_3c", false]], "overlap_check (cceom)": [[1684, "term-OVERLAP_CHECK-CCEOM", true]], "overlap_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.overlap_grad", false]], "overlapint (class in psi4.core)": [[116, "psi4.core.OverlapInt", false]], "owner_group (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.owner_group", false]], "p (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.p", false]], "p (thermo)": [[1684, "term-P-THERMO", true]], "pair_energies_print (ccenergy)": [[1684, "term-PAIR_ENERGIES_PRINT-CCENERGY", true]], "parallel (scf)": [[1684, "term-PARALLEL-SCF", true]], "parallel operation": [[1747, "index-6", false]], "parent_atom() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.parent_atom", false]], "parent_symmetry (globals)": [[1684, "term-PARENT_SYMMETRY-GLOBALS", true]], "parsingerror": [[271, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[272, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [106, "index-0", false], [1718, "index-1", false], [1718, "index-10", false], [1718, "index-11", false], [1718, "index-12", false], [1718, "index-13", false], [1718, "index-14", false], [1718, "index-15", false], [1718, "index-16", false], [1718, "index-17", false], [1718, "index-18", false], [1718, "index-19", false], [1718, "index-24", false], [1718, "index-25", false], [1718, "index-26", false], [1718, "index-5", false], [1718, "index-7", false], [1723, "index-1", false], [1723, "index-3", false], [1723, "index-5", false], [1723, "index-7", false], [1728, "index-0", false], [1728, "index-3", false], [1728, "index-5", false], [1728, "index-6", false], [1728, "index-7", false], [1739, "index-1", false], [1747, "envvar-PATH", false], [1747, "index-17", false], [1747, "index-18", false], [1754, "index-1", false], [1754, "index-2", false], [1772, "index-1", false]], "pbs queueing system": [[1747, "index-9", false]], "pcg_beta_type (dfocc)": [[1684, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1684, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1684, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1684, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1684, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1684, "term-PCG_MAXITER-OCC", true]], "pcm": [[1734, "index-0", false], [1783, "index-0", false], [1783, "index-1", false]], "pcm (globals)": [[1684, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1756, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1684, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.PCM_enabled", false]], "pcm_helper() (in module psi4.driver)": [[379, "psi4.driver.pcm_helper", false]], "pcm_helper() (in module psi4.driver.p4util)": [[366, "psi4.driver.p4util.pcm_helper", false]], "pcm_scf_type (pcm)": [[1684, "term-PCM_SCF_TYPE-PCM", true]], "pcmsolver": [[1783, "index-0", false]], "pcmsolver_parsed_fname (pcm)": [[1684, "term-PCMSOLVER_PARSED_FNAME-PCM", true]], "pe": [[1729, "index-0", false], [1729, "index-1", false]], "pe (globals)": [[1684, "term-PE-GLOBALS", true]], "pe energy": [[1756, "psivar-PE-ENERGY", false]], "pe_ecp (pe)": [[1684, "term-PE_ECP-PE", true]], "pep1": [[1784, "index-0", false]], "perturb_cbs (psimrcc)": [[1684, "term-PERTURB_CBS-PSIMRCC", true]], "perturb_cbs_coupling (psimrcc)": [[1684, "term-PERTURB_CBS_COUPLING-PSIMRCC", true]], "perturb_dipole (scf)": [[1684, "term-PERTURB_DIPOLE-SCF", true]], "perturb_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.perturb_grad", false]], "perturb_h (scf)": [[1684, "term-PERTURB_H-SCF", true]], "perturb_magnitude (detci)": [[1684, "term-PERTURB_MAGNITUDE-DETCI", true]], "perturb_magnitude (scf)": [[1684, "term-PERTURB_MAGNITUDE-SCF", true]], "perturb_with (scf)": [[1684, "term-PERTURB_WITH-SCF", true]], "petite_list() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.petite_list", false]], "petite_list() (psi4.core.sobasisset method)": [[132, "psi4.core.SOBasisSet.petite_list", false]], "petite_list1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.petite_list1", false]], "petitelist (class in psi4.core)": [[118, "psi4.core.PetiteList", false]], "phi_points (scf)": [[1684, "term-PHI_POINTS-SCF", true]], "physconst": [[1686, "index-0", false]], "physical constants": [[1812, "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)": [[1684, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1684, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1748, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.play", false]], "plugin": [[1787, "index-0", false]], "plugin() (in module psi4.core)": [[222, "psi4.core.plugin", false]], "plugin_close() (in module psi4.core)": [[223, "psi4.core.plugin_close", false]], "plugin_close_all() (in module psi4.core)": [[224, "psi4.core.plugin_close_all", false]], "plugin_load() (in module psi4.core)": [[225, "psi4.core.plugin_load", false]], "plump_qcvar() (in module psi4.driver.p4util)": [[367, "psi4.driver.p4util.plump_qcvar", false]], "pmlocalizer (class in psi4.core)": [[117, "psi4.core.PMLocalizer", false]], "pno_convergence (dlpno)": [[1684, "term-PNO_CONVERGENCE-DLPNO", true]], "point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.point_group", false]], "point_values() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.point_values", false]], "pointfunctions (class in psi4.core)": [[119, "psi4.core.PointFunctions", false]], "pointgroup (class in psi4.core)": [[120, "psi4.core.PointGroup", false]], "points (findif)": [[1684, "term-POINTS-FINDIF", true]], "pop() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.pop", false]], "populateextern() (psi4.driver.qmmmbohr method)": [[275, "psi4.driver.QMMMbohr.populateExtern", false]], "position_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.position_camera", false]], "potential_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.potential_grad", false]], "potential_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.potential_integral", false]], "potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.potential_variable", false]], "potential_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.potential_variables", false]], "potentialint (class in psi4.core)": [[121, "psi4.core.PotentialInt", false]], "potfile (pe)": [[1684, "term-POTFILE-PE", true]], "power() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.power", false]], "ppl_type (dfocc)": [[1684, "term-PPL_TYPE-DFOCC", true]], "precondition() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.precondition", false]], "preconditioner (detci)": [[1684, "term-PRECONDITIONER-DETCI", true]], "prefactor_ecd() (in module psi4.driver.p4util)": [[368, "psi4.driver.p4util.prefactor_ecd", false]], "prefactor_opa() (in module psi4.driver.p4util)": [[369, "psi4.driver.p4util.prefactor_opa", false]], "prepare_options_for_module() (in module psi4.core)": [[226, "psi4.core.prepare_options_for_module", false]], "prepare_options_for_modules() (in module psi4.driver.p4util)": [[370, "psi4.driver.p4util.prepare_options_for_modules", false]], "prepare_options_for_set_options() (in module psi4.driver.p4util)": [[371, "psi4.driver.p4util.prepare_options_for_set_options", false]], "prepare_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.prepare_results", false]], "prerequisites": [[1718, "index-0", false]], "presort_so_tei() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.presort_so_tei", false]], "primitivetype (class in psi4.core)": [[122, "psi4.core.PrimitiveType", false]], "print (cphf)": [[1684, "term-PRINT-CPHF", true]], "print (efp)": [[1684, "term-PRINT-EFP", true]], "print (globals)": [[1684, "term-PRINT-GLOBALS", true]], "print (sapt)": [[1684, "term-PRINT-SAPT", true]], "print() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1684, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_density_threshold", false]], "print_detail() (psi4.core.functional method)": [[80, "psi4.core.Functional.print_detail", false]], "print_detail() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.print_detail", false]], "print_detail_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_detail_out", false]], "print_distances() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_distances", false]], "print_dpd_lookup() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.print_dpd_lookup", false]], "print_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.print_energies", false]], "print_energy() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_energy", false]], "print_global_options() (in module psi4.core)": [[227, "psi4.core.print_global_options", false]], "print_global_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_global_options", false]], "print_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_gradient", false]], "print_header() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.print_header", false]], "print_header() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[84, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[92, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[147, "psi4.core.VBase.print_header", false]], "print_hessian() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_hessian", false]], "print_in_input_format() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.print_molden_vibs", false]], "print_mos (scf)": [[1684, "term-PRINT_MOS-SCF", true]], "print_noons (globals)": [[1684, "term-PRINT_NOONS-GLOBALS", true]], "print_opt_params (optking)": [[1684, "term-PRINT_OPT_PARAMS-OPTKING", true]], "print_options() (in module psi4.core)": [[228, "psi4.core.print_options", false]], "print_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.print_orbitals", false]], "print_out() (in module psi4.core)": [[229, "psi4.core.print_out", false]], "print_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_out", false]], "print_out() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.print_out", false]], "print_out() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.print_out", false]], "print_out() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.print_out", false]], "print_out() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.print_out", false]], "print_out() (psi4.core.dispersion 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"psi4.core.Vector.print_out", false]], "print_out() (psi4.driver.empiricaldispersion method)": [[267, "psi4.driver.EmpiricalDispersion.print_out", false]], "print_out_in_angstrom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_angstrom", false]], "print_out_in_bohr() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_bohr", false]], "print_out_of_planes() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_of_planes", false]], "print_preiterations() (psi4.core.hf method)": [[84, "psi4.core.HF.print_preiterations", false]], "print_rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_rotational_constants", false]], "print_stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.print_stability_analysis", false]], "print_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.print_tensor_pqQ", false]], "print_trailer() (psi4.core.fisapt method)": [[76, 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"repl_otf (detci)": [[1684, "term-REPL_OTF-DETCI", true]], "reset_ci_h0block() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.reset_ci_H0block", false]], "reset_occ_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1684, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1747, "index-0", false]], "restart (ccenergy)": [[1684, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1684, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1684, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1684, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1684, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[326, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1684, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1684, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[235, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1684, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1684, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1684, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[128, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1684, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[129, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1684, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1684, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1684, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1684, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[130, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1684, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1684, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1684, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1684, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rotate_columns", false]], "rotate_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.rotate_mcscf_integrals", false]], "rotate_mo_angle (mcscf)": [[1684, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1684, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1684, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1684, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1684, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rows", false]], "rpa": [[1821, "index-0", false]], "rsrfo_alpha_max (optking)": [[1684, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1684, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1684, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1684, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1723, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1739, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1739, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1754, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1684, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1684, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1684, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1684, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.S", false]], "s6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s6", false]], "s8() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s8", false]], "s_cholesky_tolerance (scf)": [[1684, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1684, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1684, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1684, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1684, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1684, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1684, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1684, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1684, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1684, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1684, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1684, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[131, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[134, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[391, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[392, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1684, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1817, "index-0", false], [1817, "index-1", false], [1817, "index-2", false], [1817, "index-3", false], [1817, "index-4", false], [1817, "index-5", false]], "sapt (scf)": [[1684, "term-SAPT-SCF", true]], "sapt alpha": [[1756, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1756, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1756, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1756, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1756, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1756, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1756, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1756, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1756, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1756, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1756, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1756, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1756, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1756, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1756, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1756, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1756, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1756, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1756, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1756, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1756, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1756, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1756, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1756, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1756, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1756, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1756, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1756, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1756, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1756, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1756, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1756, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1756, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1756, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1756, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1756, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1756, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1756, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1756, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1756, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1756, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1756, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1756, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1756, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1756, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1756, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1756, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1756, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1756, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1756, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1756, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[237, "psi4.core.sapt", false]], "sapt(dft)": [[1817, "index-2", false]], "sapt0": [[1817, "index-1", false]], "sapt0 disp energy": [[1756, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1756, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1756, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1756, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1756, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1684, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1684, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1684, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1756, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1756, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1756, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1756, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1756, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1756, "psivar-1", false]], "sapt2+ elst energy": [[1756, "psivar-2", false]], "sapt2+ exch energy": [[1756, "psivar-3", false]], "sapt2+ ind energy": [[1756, "psivar-4", false]], "sapt2+ total energy": [[1756, "psivar-9", false]], "sapt2+(3) disp energy": [[1756, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1756, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1756, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1756, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1756, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1756, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1756, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1756, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1756, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1756, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1756, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1756, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1756, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1756, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1756, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1756, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1756, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1756, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1756, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1756, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1756, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1756, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1756, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1756, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1756, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1756, "psivar-5", false]], "sapt2+3 elst energy": [[1756, "psivar-6", false]], "sapt2+3 exch energy": [[1756, "psivar-7", false]], "sapt2+3 ind energy": [[1756, "psivar-8", false]], "sapt2+3 total energy": [[1756, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1756, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1756, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1756, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1756, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1756, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1756, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1756, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1756, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1756, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1756, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1756, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1756, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1756, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1756, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1756, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1756, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1756, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1756, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1756, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1756, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1684, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1684, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1684, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1684, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1684, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1684, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1684, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1684, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1684, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1684, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1684, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1684, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1684, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1684, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1684, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1684, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1684, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[148, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_density", false]], "save_density_and_energy() (psi4.core.hf method)": [[84, "psi4.core.HF.save_density_and_energy", false]], "save_jk (scf)": [[1684, "term-SAVE_JK-SCF", true]], "save_molecule() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.save_molecule", false]], "save_optimization (optking)": [[1684, "term-SAVE_OPTIMIZATION-OPTKING", true]], "save_string_xyz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz", false]], "save_string_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_string_xyz_file", false]], "save_uhf_nos (scf)": [[1684, "term-SAVE_UHF_NOS-SCF", true]], "save_xyz_file() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.save_xyz_file", false]], "savetype (class in psi4.core)": [[135, "psi4.core.SaveType", false]], "scalar_variable() (in module psi4.core)": [[238, "psi4.core.scalar_variable", false]], "scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[239, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[148, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[240, "psi4.core.scatter", false]], "scf": [[1818, "index-0", false], [1818, "index-1", false]], "scf dipole": [[1756, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1756, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1756, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1756, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1756, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1756, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1756, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1756, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[393, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1684, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1684, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1684, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1684, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1684, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1684, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1684, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1684, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[84, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[394, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[276, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[241, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[242, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1684, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.scramble", false]], "scratch files": [[1747, "index-0", false]], "screening (globals)": [[1684, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1756, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1756, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1756, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1756, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1756, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1756, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1756, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1756, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1756, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1756, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1756, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1756, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1756, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1756, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1756, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1756, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1684, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1684, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1684, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1684, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1684, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1684, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1684, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1756, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1756, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1684, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1684, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1684, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1684, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1684, "term-SEMICANONICAL-CCEOM", true]], "semicanonical (cctransort)": [[1684, "term-SEMICANONICAL-CCTRANSORT", true]], "semicanonical (cctriples)": [[1684, "term-SEMICANONICAL-CCTRIPLES", true]], "semicanonical_orbs() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.semicanonical_orbs", false]], "semicanonicalize() (psi4.core.hf method)": [[84, "psi4.core.HF.semicanonicalize", false]], "set() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set", false]], "set() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set", false]], "set() (psi4.core.vector method)": [[148, "psi4.core.Vector.set", false]], "set_aa_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_aa_int_name", false]], "set_ab_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_ab_int_name", false]], "set_active_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_active_fragment", false]], "set_active_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_active_fragments", false]], "set_active_molecule() (in module psi4.core)": [[243, "psi4.core.set_active_molecule", false]], "set_alpha() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_alpha", false]], "set_ansatz() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_ansatz", false]], "set_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_AO_core", false]], "set_array() (psi4.core.options method)": [[114, "psi4.core.Options.set_array", false]], "set_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array", false]], "set_array_variable() (in module psi4.core)": [[244, "psi4.core.set_array_variable", false]], "set_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_array_variable", false]], "set_atomic_fit_bases() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_bb_int_name", false]], "set_bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_bibtex", false]], "set_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[114, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], "set_camera() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_camera", false]], "set_ci_guess() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_ci_guess", false]], "set_citation() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_citation", false]], "set_citation() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_citation", false]], "set_citation() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_citation", false]], "set_color() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_color", false]], "set_comment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_comment", false]], "set_connectivity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_connectivity", false]], "set_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.set_COSX_grid", false]], "set_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[92, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[245, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_define", false]], "set_delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.set_delta", false]], "set_density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_density_tolerance", false]], "set_deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.set_deriv", false]], "set_deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_deriv", false]], "set_deriv_density_backtransformed() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_deriv_density_backtransformed", false]], "set_description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_description", false]], "set_description() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[114, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[84, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[246, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[247, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_hessian", false]], "set_ignore_reference() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_ignore_reference", false]], "set_input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[114, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[248, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[249, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[395, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.set_memory", false]], "set_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_memory", false]], "set_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[92, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[250, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta_cutoff", false]], "set_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_method", false]], "set_method() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_method", false]], "set_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_MO_core", false]], "set_module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[396, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_multiplicity", false]], "set_name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_name", false]], "set_name() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_nfragments", false]], "set_nthreads() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_nthreads", false]], "set_nuclear_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[251, "psi4.core.set_num_threads", false]], "set_nvec() (psi4.core.civector method)": [[12, "psi4.core.CIVector.set_nvec", false]], "set_omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[397, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_options", false]], "set_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_orbitals", false]], "set_orbitals() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1748, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[252, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_parameter", false]], "set_params() (psi4.core.correlationfactor method)": [[19, "psi4.core.CorrelationFactor.set_params", false]], "set_pid() (psi4.core.io method)": [[86, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[92, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[253, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[254, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_scalar_variable", false]], "set_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_schwarz_cutoff", false]], "set_size() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[114, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[114, "psi4.core.Options.set_str_i", false]], "set_subalgo() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_subalgo", false]], "set_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tpdm_already_presorted", false]], "set_tpdm_presorted() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_tpdm_presorted", false]], "set_tweak() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[255, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.setName", false]], "setting": [[1720, "index-0", false], [1732, "index-0", false], [1741, "index-0", false], [1746, "index-0", false], [1752, "index-0", false], [1774, "index-1", false], [1780, "index-0", false], [1806, "index-0", false], [1812, "index-2", false], [1813, "index-2", false]], "setting keywords": [[1778, "index-2", false], [1778, "index-3", false], [1778, "index-4", false], [1778, "index-5", false], [1778, "index-6", false]], "sf_restrict (detci)": [[1684, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[148, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[86, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[87, "psi4.core.IOManager.shared_object", false]], "shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell", false]], "shell_extents() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.shell_extents", false]], "shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_on_center", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.shell_significant", false]], "shell_to_ao_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_ao_function", false]], "shell_to_basis_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_basis_function", false]], "shell_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_center", false]], "shellinfo (class in psi4.core)": [[136, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.shells_iterator", false]], "shells_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.shells_local_to_global", false]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1720, "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)": [[1684, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1819, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1746, "index-0", false]], "singles_print (cceom)": [[1684, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[137, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1684, "term-SMALL_CUTOFF-PSIMRCC", true]], "sns-mp2": [[1786, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_angular_momentum", false]], "so_dipole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_dipole", false]], "so_dipole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_dipole", false]], "so_dkh() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_dkh", false]], "so_kinetic() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_kinetic", false]], "so_kinetic() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_kinetic", false]], "so_multipoles() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_multipoles", false]], "so_nabla() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_nabla", false]], "so_nabla() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_nabla", false]], "so_overlap() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_overlap", false]], "so_overlap() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_overlap", false]], "so_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_potential", false]], "so_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_potential", false]], "so_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_quadrupole", false]], "so_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_traceless_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_traceless_quadrupole", false]], "sobasisset (class in psi4.core)": [[132, "psi4.core.SOBasisSet", false]], "sobasisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.sobasisset", false]], "sobasisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1684, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1684, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1684, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1684, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1684, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1684, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1684, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1684, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1684, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1684, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1684, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[329, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[133, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1756, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1756, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1756, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1756, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1756, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1756, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1756, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1756, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1684, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1684, "term-SOS_TYPE-OCC", true]], "soscf": [[1818, "index-3", false]], "soscf (scf)": [[1684, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1684, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1684, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1684, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1684, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1684, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[84, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.sotoao", false]], "specification": [[1813, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1735, "index-3", false]], "spin_scale_type (occ)": [[1684, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1684, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1684, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1684, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1684, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1684, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1756, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1756, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1756, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1756, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1756, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1684, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1684, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1684, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1684, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1684, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1684, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1684, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1684, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1684, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[86, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1684, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.SubBlocks", false]], "subdegen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subdegen", false]], "subgroup() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subgroup", false]], "subn() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subn", false]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1748, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1684, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[138, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1684, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1813, "index-2", false], [1813, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[139, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1684, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1684, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1684, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1684, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1684, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1684, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1684, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1684, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1684, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1684, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1684, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1684, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1684, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1821, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1748, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1748, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1756, "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)": [[1756, "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": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1756, "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": [[1756, "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)": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1756, "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)": [[1756, "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)": [[1756, "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": [[1756, "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": [[1756, "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": [[1756, "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": [[1756, "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)": [[1756, "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)": [[1756, "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": [[1756, "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": [[1756, "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)": [[1756, "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)": [[1756, "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)": [[1756, "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": [[1756, "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)": [[1756, "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": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "td-fctl root 0 -> root n rotatory strength (vel) - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root n (h) total energy": [[1756, "psivar-TD-fctl-ROOT-n-h-TOTAL-ENERGY", false]], "td-fctl root n (in h) total energy": [[1756, "psivar-TD-fctl-ROOT-n-IN-h-TOTAL-ENERGY", false]], "td-fctl root n total energy": [[1756, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY", false]], "td-fctl root n total energy - h transition": [[1756, "psivar-TD-fctl-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "tda": [[1821, "index-0", false]], "tddft": [[1821, "index-0", false]], "tdm (detci)": [[1684, "term-TDM-DETCI", true]], "tdscf": [[1821, "index-0", false], [1821, "index-1", false]], "tdscf() (in module psi4.driver)": [[398, "psi4.driver.tdscf", false]], "tdscf_coeff_cutoff (scf)": [[1684, "term-TDSCF_COEFF_CUTOFF-SCF", true]], "tdscf_guess (scf)": [[1684, "term-TDSCF_GUESS-SCF", true]], 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9, 1, "psivar-CI-ROOT-n-QUADRUPOLE", "CI ROOT n QUADRUPOLE"], [1756, 9, 1, "psivar-CI-ROOT-n-TOTAL-ENERGY", "CI ROOT n TOTAL ENERGY"], [1756, 9, 1, "psivar-CI-STATE-AVERAGED-CORRELATION-ENERGY", "CI STATE-AVERAGED CORRELATION ENERGY"], [1756, 9, 1, "psivar-CI-STATE-AVERAGED-TOTAL-ENERGY", "CI STATE-AVERAGED TOTAL ENERGY"], [1756, 9, 1, "psivar-CI-TOTAL-ENERGY", "CI TOTAL ENERGY"], [1756, 9, 1, "psivar-CISD-CORRELATION-ENERGY", "CISD CORRELATION ENERGY"], [1756, 9, 1, "psivar-CISD-DIPOLE", "CISD DIPOLE"], [1756, 9, 1, "psivar-CISD-DOUBLES-ENERGY", "CISD DOUBLES ENERGY"], [1756, 9, 1, "psivar-CISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "CISD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-CISD-QUADRUPOLE", "CISD QUADRUPOLE"], [1756, 9, 1, "psivar-CISD-SAME-SPIN-CORRELATION-ENERGY", "CISD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-CISD-SINGLES-ENERGY", "CISD SINGLES ENERGY"], [1756, 9, 1, "psivar-CISD-TOTAL-ENERGY", "CISD TOTAL ENERGY"], [1756, 9, 1, "psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1756, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1756, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1756, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1756, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1756, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1747, 10, 1, "-", "CONDA_PREFIX"], [1756, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1718, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1718, 10, 1, "-", "CRAY_ADD_RPATH"], [1756, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1756, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1756, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1756, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1756, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1756, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1756, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", "CUSTOM SCS-OMP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", "CUSTOM SCS-OMP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", "CUSTOM SCS-OREMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", "CUSTOM SCS-OREMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", "CUSTOM SCS-REMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", "CUSTOM SCS-REMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-DCT-LAMBDA-ENERGY", "DCT LAMBDA ENERGY"], [1756, 9, 1, "psivar-DCT-SCF-ENERGY", "DCT SCF ENERGY"], [1756, 9, 1, "psivar-DCT-THREE-PARTICLE-ENERGY", "DCT THREE-PARTICLE ENERGY"], [1756, 9, 1, "psivar-DCT-TOTAL-ENERGY", "DCT TOTAL ENERGY"], [1756, 9, 1, "psivar-DD-SOLVATION-ENERGY", "DD SOLVATION ENERGY"], [1756, 9, 1, "psivar-DETCI-AVG-DVEC-NORM", "DETCI AVG DVEC NORM"], [1756, 9, 1, "psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1756, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1756, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1756, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1756, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1756, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1756, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1756, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1756, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1756, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1756, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1756, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1756, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1756, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1756, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1756, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1756, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1756, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1756, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1756, 9, 1, "-", "ENTHALPY"], [1756, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1756, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1756, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1756, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1756, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1756, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1756, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1756, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1756, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1756, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1756, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1756, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1756, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1756, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1756, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1756, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1756, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1747, 10, 1, "-", "HOST"], [1756, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1756, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1756, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1756, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1756, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1756, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1756, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1756, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1756, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1756, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1756, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1756, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1756, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1718, 10, 1, "-", "MATH_ROOT"], [1756, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1756, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1756, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1756, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1756, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1756, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1756, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1756, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1756, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1756, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1747, 10, 1, "-", "MKL_NUM_THREADS"], [1718, 10, 1, "-", "MKL_ROOT"], [1730, 10, 1, "-", "MONTAGE"], [1756, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1756, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1756, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1756, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1756, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1756, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1756, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1756, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1756, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1756, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1756, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1756, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1756, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1756, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1756, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1756, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1756, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1756, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1756, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1756, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1756, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1756, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1756, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1756, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1756, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1756, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1756, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1756, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1756, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1756, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1756, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1756, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1756, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1756, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1756, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1756, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1756, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1747, 10, 1, "-", "OMP_NESTED"], [1747, 10, 1, "-", "OMP_NUM_THREADS"], [1756, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1756, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1756, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1756, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1756, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1756, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1747, 10, 1, "-", "PATH"], [1756, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1756, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1747, 10, 1, "-", "PSIDATADIR"], [1747, 10, 1, "-", "PSIPATH"], [1747, 10, 1, "-", "PSI_SCRATCH"], [1747, 10, 1, "-", "PYTHONPATH"], [1756, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1756, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1756, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1756, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1756, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1756, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1756, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1756, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1756, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1756, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1756, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1756, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1756, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1756, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1756, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1756, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1756, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1756, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1756, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1756, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1756, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1756, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1756, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1756, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1756, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1756, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1756, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1756, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1756, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1756, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1756, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1756, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1756, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1756, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1756, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1756, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1756, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1756, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1756, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1756, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1756, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1756, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1756, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1756, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1756, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1756, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1756, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1756, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1756, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1756, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1756, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1756, 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)"], [1756, 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)"], [1756, 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"], [1756, 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"], [1756, 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"], [1756, 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"], [1756, 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)"], [1756, 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)"], [1756, 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"], [1756, 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"], [1756, 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)"], [1756, 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)"], [1756, 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)"], [1756, 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)"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1756, 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"], [1756, 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"], [1756, 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"], [1756, 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)"], [1756, 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)"], [1756, 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"], [1756, 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"], [1756, 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)"], [1756, 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)"], [1756, 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)"], [1756, 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"], [1756, 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)"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR ALPHA"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n RIGHT EIGENVECTOR BETA"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (LEN)"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n ROTATORY STRENGTH (VEL)"], 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1753, 1754, 1755, 1756, 1757, 1758, 1759, 1760, 1761, 1762, 1763, 1764, 1765, 1766, 1767, 1768, 1769, 1770, 1771, 1772, 1773, 1774, 1775, 1776, 1777, 1778, 1779, 1780, 1781, 1782, 1783, 1784, 1785, 1786, 1787, 1788, 1789, 1790, 1791, 1792, 1793, 1794, 1795, 1796, 1797, 1798, 1799, 1800, 1801, 1802, 1803, 1804, 1805, 1806, 1807, 1809, 1810, 1811, 1812, 1813, 1814, 1815, 1816, 1817, 1818, 1819, 1820, 1821, 1822, 1823, 1824], "\u03c8": 13}, "titles": ["ADC: Ab Initio Polarization Propagator", "Interface to adcc 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", "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": {"": [884, 1210, 1715, 1718, 1726, 1739, 1754, 1765, 1817], "0": 1801, "1": [1713, 1750, 1818], "2": 1768, "2nd": 1736, "3": 1768, "3rc1": 1768, "4": [1674, 1675, 1676, 1677, 1679, 1680, 1681, 1682, 1686, 1687, 1688, 1711, 1712, 1713, 1715, 1716, 1717, 1718, 1719, 1722, 1723, 1726, 1728, 1738, 1744, 1757, 1758, 1760, 1761, 1777, 1779, 1782, 1784, 1790, 1794, 1795, 1796, 1797, 1798, 1799, 1804, 1805, 1807, 1810, 1813, 1818, 1824], "8": 1768, "82": [1674, 1675, 1676, 1677, 1679, 1680, 1681, 1682, 1686, 1687, 1688, 1711, 1712, 1713, 1715, 1716, 1717, 1719, 1722, 1723, 1726, 1728, 1738, 1744, 1757, 1758, 1760, 1761, 1777, 1779, 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[1484, null]], "COSX_DENSITY_TOLERANCE": [[1231, "cosx-density-tolerance"], [1485, null]], "COSX_INTS_TOLERANCE": [[1231, "cosx-ints-tolerance"], [1486, null]], "COSX_MAXITER_FINAL": [[1231, "cosx-maxiter-final"], [1487, null]], "COSX_OVERLAP_FITTING": [[1231, "cosx-overlap-fitting"], [1488, null]], "COSX_PRUNING_SCHEME": [[1231, "cosx-pruning-scheme"], [1489, null]], "COSX_RADIAL_POINTS_FINAL": [[1231, "cosx-radial-points-final"], [1490, null]], "COSX_RADIAL_POINTS_INITIAL": [[1231, "cosx-radial-points-initial"], [1491, null]], "COSX_SPHERICAL_POINTS_FINAL": [[1231, "cosx-spherical-points-final"], [1492, null]], "COSX_SPHERICAL_POINTS_INITIAL": [[1231, "cosx-spherical-points-initial"], [1493, null]], "COUPLED_INDUCTION": [[1230, "coupled-induction"], [1438, null], [1817, "coupled-induction"], [1817, "id13"]], "COUPLING": [[1229, "coupling"], [1400, null]], "COUPLING_TERMS": [[1229, "coupling-terms"], [1401, null]], "COVALENT_CONNECT": [[1226, "covalent-connect"], [1303, null]], "CPHF": [[1207, null]], "CPHF_MEM_SAFETY_FACTOR": [[714, null], [1207, "cphf-mem-safety-factor"]], "CPHF_R_CONVERGENCE": [[1029, null], [1218, "cphf-r-convergence"], [1230, "cphf-r-convergence"], [1439, null], [1817, "cphf-r-convergence"]], "CPHF_TASKS": [[715, null], [1207, "cphf-tasks"]], "CTest and pytest, PSIthon and PsiAPI": [[2, "ctest-and-pytest-psithon-and-psiapi"]], "CUBEPROP_BASIS_FUNCTIONS": [[1108, null], [1221, "cubeprop-basis-functions"], [1730, "cubeprop-basis-functions"]], "CUBEPROP_FILEPATH": [[1109, null], [1221, "cubeprop-filepath"], [1730, "cubeprop-filepath"]], "CUBEPROP_ISOCONTOUR_THRESHOLD": [[1110, null], [1221, "cubeprop-isocontour-threshold"]], "CUBEPROP_ORBITALS": [[1111, null], [1221, "cubeprop-orbitals"], [1730, "cubeprop-orbitals"]], "CUBEPROP_TASKS": [[1112, null], [1221, "cubeprop-tasks"], [1730, "id3"]], "CUBIC_BASIS_TOLERANCE": [[1030, null], [1113, null], [1218, "cubic-basis-tolerance"], [1221, "cubic-basis-tolerance"]], "CUBIC_BLOCK_MAX_POINTS": [[1031, null], [1114, null], [1218, "cubic-block-max-points"], [1221, "cubic-block-max-points"]], "CUBIC_GRID_OVERAGE": [[1032, null], [1115, null], [1218, "cubic-grid-overage"], [1221, "cubic-grid-overage"], [1730, "cubic-grid-overage"]], "CUBIC_GRID_SPACING": [[1033, null], [1116, null], [1218, "cubic-grid-spacing"], [1221, "cubic-grid-spacing"], [1730, "cubic-grid-spacing"]], "CUHF": [[14, null]], "CUTOFF": [[918, null], [1213, "cutoff"], [1225, "cutoff"], [1249, null]], "CUTOFF_AMPS_PRINT": [[0, "cutoff-amps-print"], [1, "cutoff-amps-print"], [401, null], [1197, "cutoff-amps-print"]], "Calling compute_shell(int P, int Q)": [[1797, "calling-compute-shell-int-p-int-q"]], "Capabilities": [[1761, "capabilities"]], "Capabilities and Alternate Implementations": [[1719, null]], "Capabilities of <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>, including details of overlapping modules. \u201c\u2713\u201d runs analytically. \u201c\u2237\u201d runs derivative with internal finite difference. Single underline \u201c\u2713\u0332\u201d or \u201c\u2237\u0332\u201d is default module when QC_MODULE unspecified. Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1719, "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": [[1723, "cfour-for-psifour-users"]], "Changes to External Potential Engines": [[1797, "changes-to-external-potential-engines"]], "CharacterTable": [[17, null]], "Charge-Transfer in SAPT": [[1817, "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>": [[1761, "citing-psifour"]], "Class Inheritance Diagram": [[1807, "class-inheritance-diagram"], [1807, "id3"], [1807, "id6"]], "Classes": [[1807, "classes"], [1807, "id2"], [1807, "id5"]], "Clone from GitHub Repository": [[1717, "clone-from-github-repository"]], "Code style 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"how-and-when-to-not-apply-code-styling-to-your-contributions"]], "How do I retain specific Psi4 scratch files": [[1718, "how-do-i-retain-specific-psi4-scratch-files"]], "How to Ignore the Bots": [[1802, "how-to-ignore-the-bots"]], "How to build and install Psi4, the compact version": [[1718, "how-to-build-and-install-psi4-the-compact-version"]], "How to build, test, and install Psi4, in detail": [[1718, "how-to-build-test-and-install-psi4-in-detail"]], "How to bump a version": [[1766, "how-to-bump-a-version"]], "How to call BLAS & LAPACK in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1790, "how-to-call-blas-lapack-in-psifour"]], "How to choose the compilation directory, {objdir}": [[1718, "how-to-choose-the-compilation-directory-objdir"]], "How to compile for debugging": [[1718, "how-to-compile-for-debugging"]], "How to configure BLAS/LAPACK for building Psi4": [[1718, "how-to-configure-blas-lapack-for-building-psi4"]], "How to configure C++ and C compilers for building Psi4": [[1718, "how-to-configure-c-and-c-compilers-for-building-psi4"]], "How to configure CPPE for building Psi4": [[1729, "how-to-configure-cppe-for-building-psi4"]], "How to configure CheMPS2 for building Psi4": [[1726, "how-to-configure-chemps2-for-building-psi4"]], "How to configure Fortran compilers for building Psi4": [[1718, "how-to-configure-fortran-compilers-for-building-psi4"]], "How to configure LibECPInt for building Psi4": [[1745, "how-to-configure-libecpint-for-building-psi4"]], "How to configure Libint for building Psi4": [[1763, "how-to-configure-libint-for-building-psi4"]], "How to configure Libxc for building Psi4": [[1764, "how-to-configure-libxc-for-building-psi4"]], "How to configure PCMSolver for building Psi4": [[1783, "how-to-configure-pcmsolver-for-building-psi4"]], "How to configure Python for building Psi4": [[1718, "how-to-configure-python-for-building-psi4"]], "How to configure a Psi4 build on Cray": [[1718, "how-to-configure-a-psi4-build-on-cray"]], "How to configure adcc for building Psi4": [[1, "how-to-configure-adcc-for-building-psi4"]], "How to configure code to use high angular momentum basis sets": [[1718, "how-to-configure-code-to-use-high-angular-momentum-basis-sets"]], "How to configure ddx for building Psi4": [[1734, "how-to-configure-ddx-for-building-psi4"]], "How to configure dkh for building Psi4": [[1742, "how-to-configure-dkh-for-building-psi4"]], "How to configure gau2gridfor building Psi4": [[1753, "how-to-configure-gau2gridfor-building-psi4"]], "How to configure gdma for building Psi4": [[1755, "how-to-configure-gdma-for-building-psi4"]], "How to configure libefp for building Psi4": [[1762, "how-to-configure-libefp-for-building-psi4"]], "How to configure paths for PsiAPI": [[1718, "how-to-configure-paths-for-psiapi"]], "How to configure simint for building Psi4": [[1819, "how-to-configure-simint-for-building-psi4"]], "How to create and remove an annotated Git tag on a remote": [[1766, "how-to-create-and-remove-an-annotated-git-tag-on-a-remote"]], "How to do GitHub issue management and code review": [[1766, "how-to-do-github-issue-management-and-code-review"]], "How to find tests without output.ref": [[1766, "how-to-find-tests-without-output-ref"]], "How to find the Psi4 module from the executable and vice versa": [[1718, "how-to-find-the-psi4-module-from-the-executable-and-vice-versa"]], "How to fix \u201cPsi4 undefined\u201d version": [[1766, "how-to-fix-psi4-undefined-version"]], "How to fix \u201ccannot import name \u2018core\u2019 from {top-level-psi4-dir}": [[1766, "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": [[1726, "how-to-fix-plugin-needed-to-handle-lto-object-when-building-chemps2"]], "How to fix \u201cundefined symbol: _Py_FalseStruct\u201d": [[1718, "how-to-fix-undefined-symbol-py-falsestruct"]], "How to get a Psi4 logo file": [[1718, "how-to-get-a-psi4-logo-file"]], "How to get high angular momentum integrals from conda": [[1718, "how-to-get-high-angular-momentum-integrals-from-conda"]], "How to handle \u201cruntime library may be hidden\u201d when building with Anaconda Python": [[1718, "how-to-handle-runtime-library-may-be-hidden-when-building-with-anaconda-python"]], "How to highlight git merge conflicts in vi": [[1718, "how-to-highlight-git-merge-conflicts-in-vi"]], "How to impose code style through Git hooks": [[1727, "how-to-impose-code-style-through-git-hooks"]], "How to impose code style through your editor": [[1727, "how-to-impose-code-style-through-your-editor"]], "How to install a Psi4 binary into an Ana/Miniconda distribution": [[1728, "how-to-install-a-psi4-binary-into-an-ana-miniconda-distribution"]], "How to install a Psi4 binary with the Psi4conda installer, command-line": [[1728, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-command-line"]], "How to install a Psi4 binary with the Psi4conda installer, download site": [[1728, "how-to-install-a-psi4-binary-with-the-psi4conda-installer-download-site"]], "How to install elsewhere than /usr/local/psi4": [[1718, "how-to-install-elsewhere-than-usr-local-psi4"]], "How to integrate an Add-On into build, testing, and docs": [[1765, "how-to-integrate-an-add-on-into-build-testing-and-docs"]], "How to locate non-ascii characters in the codebase": [[1766, "how-to-locate-non-ascii-characters-in-the-codebase"]], "How to name keywords in psi4/src/read_options.cc": [[1765, "how-to-name-keywords-in-psi4-src-read-options-cc"]], "How to name orbital bases (e.g., AO & SO)": [[1790, "how-to-name-orbital-bases-e-g-ao-so"]], "How to name orbital dimensions": [[1790, "how-to-name-orbital-dimensions"]], "How to name orbital spaces (e.g., docc)": [[1790, "how-to-name-orbital-spaces-e-g-docc"]], "How to obtain C and C++ compilers for Mac without Fink, MacPorts, or Homebrew": [[1718, "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}": [[1717, "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": [[1718, "how-to-obtain-a-fortran-compiler-for-mac-without-fink-macports-or-homebrew"]], "How to refer to Psi4": [[1718, "how-to-refer-to-psi4"]], "How to run Psi4 as Python module after compilation": [[1718, "how-to-run-psi4-as-python-module-after-compilation"]], "How to run Psi4 as executable after compilation": [[1718, "how-to-run-psi4-as-executable-after-compilation"]], "How to run Psi4 as executable after compilation using driver from source": [[1718, "how-to-run-psi4-as-executable-after-compilation-using-driver-from-source"]], "How to run Psi4 as executable or Python module from conda installation": [[1718, "how-to-run-psi4-as-executable-or-python-module-from-conda-installation"]], "How to run a minute\u2019s worth of tests": [[1718, "how-to-run-a-minute-s-worth-of-tests"]], "How to run a subset of tests": [[1718, "how-to-run-a-subset-of-tests"]], "How to run code-style tools clang-format and yapf manually": [[1727, "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": [[1718, "how-to-satisfy-the-gcc-4-9-requirement-on-linux-without-updating-the-os"]], "How to save configuration settings for a future compilation": [[1718, "how-to-save-configuration-settings-for-a-future-compilation"]], "How to see CTest testing errors": [[1718, "how-to-see-ctest-testing-errors"]], "How to see the actual compiling commands (or errors) with cmake": [[1718, "how-to-see-the-actual-compiling-commands-or-errors-with-cmake"]], "How to see what build configuration options are available": [[1718, "how-to-see-what-build-configuration-options-are-available"]], "How to set up the scratch directory": [[1718, "how-to-set-up-the-scratch-directory"]], "How to solve ModuleNotFoundError: No module named 'psi4'": [[1718, "how-to-solve-modulenotfounderror-no-module-named-psi4"]], "How to test a Psi4 installation": [[1718, "how-to-test-a-psi4-installation"]], "How to update a Psi4 binary": [[1728, "how-to-update-a-psi4-binary"]], "How to update and rebuild Psi4": [[1718, "how-to-update-and-rebuild-psi4"]], "How to use Psi4 within a PBS queue": [[1718, "how-to-use-psi4-within-a-pbs-queue"]], "How to use a local Add-On repository in the Psi4 build": [[1718, "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": [[1765, "how-to-use-an-add-on-s-name-in-directory-structure-build-and-distribution"]], "How to use conda to compile Psi4 faster and easier": [[1728, "how-to-use-conda-to-compile-psi4-faster-and-easier"]], "How to use conda to get a Psi4 development environment": [[1718, "how-to-use-conda-to-get-a-psi4-development-environment"]], "How to use gdb and lldb with Psi4": [[1718, "how-to-use-gdb-and-lldb-with-psi4"]], "How to use logging in Psi4": [[1718, "how-to-use-logging-in-psi4"]], "How to use low-level BLAS/LAPACK with psi4.core.Matrix": [[1790, "how-to-use-low-level-blas-lapack-with-psi4-core-matrix"]], "Hybrid": [[1738, "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>": [[1680, null], [1738, "id5"]], "I-SAPT: A Representative Example": [[1750, "i-sapt-a-representative-example"]], "I. Basic Input Structure": [[1808, "I.-Basic-Input-Structure"]], "ICORE": [[837, null], [1210, "icore"], [1735, "icore"]], "IDAMAX": [[85, null]], "II. Running a Basic Hartree-Fock Calculation": [[1808, "II.-Running-a-Basic-Hartree-Fock-Calculation"]], "III. Geometry Optimization and Vibrational Frequency Analysis": [[1808, "III.-Geometry-Optimization-and-Vibrational-Frequency-Analysis"]], "INCFOCK": [[1231, "incfock"], [1563, null]], "INCFOCK_CONVERGENCE": [[1231, "incfock-convergence"], [1564, null]], "INCFOCK_FULL_FOCK_EVERY": [[1231, "incfock-full-fock-every"], [1565, null]], "INDUCED_CONVERGENCE": [[1228, "induced-convergence"], [1386, null], [1729, "induced-convergence"]], "INTCOS_GENERATE_EXIT": [[1226, "intcos-generate-exit"], [1332, null]], "INTEGRAL_CUTOFF": [[927, null], [1213, "integral-cutoff"]], "INTEGRAL_PACKAGE": [[1129, null], [1221, "integral-package"]], "INTERFRAGMENT_CONNECT": [[1226, "interfragment-connect"], [1339, null]], "INTERFRAG_COLLINEAR_TOL": [[1226, "interfrag-collinear-tol"], [1333, null]], "INTERFRAG_COORDS": [[1226, "interfrag-coords"], [1334, null]], "INTERFRAG_DIST_INV": [[1226, "interfrag-dist-inv"], [1335, null]], "INTERFRAG_HESS": [[1226, "interfrag-hess"], [1336, null]], "INTERFRAG_MODE": [[1226, "interfrag-mode"], [1337, null]], "INTERFRAG_STEP_LIMIT": [[1226, "interfrag-step-limit"], [1338, null]], "INTERNAL_ROTATIONS": [[1183, null], [1222, "internal-rotations"]], "INTRAFRAG_HESS": [[1226, "intrafrag-hess"], [1340, null]], "INTRAFRAG_STEP_LIMIT": [[1226, "intrafrag-step-limit"], [1341, null]], "INTRAFRAG_STEP_LIMIT_MAX": [[1226, "intrafrag-step-limit-max"], [1342, null]], "INTRAFRAG_STEP_LIMIT_MIN": [[1226, "intrafrag-step-limit-min"], [1343, null]], "INTS_TOLERANCE": [[415, null], [740, null], [905, null], [1053, null], [1198, "ints-tolerance"], [1208, "ints-tolerance"], [1212, "ints-tolerance"], [1218, "ints-tolerance"], [1224, "ints-tolerance"], [1230, "ints-tolerance"], [1231, "ints-tolerance"], [1234, null], [1452, null], [1566, null], [1817, "ints-tolerance"], [1817, "id26"]], "IO": [[86, null]], "IOManager": [[87, null]], "IP Fitting": [[1737, "ip-fitting"]], "IP_POLES": [[1225, "ip-poles"], [1264, null]], "IRC_DIRECTION": [[1226, "irc-direction"], [1344, null]], "IRC_POINTS": [[1226, "irc-points"], [1345, null]], "IRC_STEP_SIZE": [[1226, "irc-step-size"], [1346, null]], "ISOTROPIC_POL": [[1228, "isotropic-pol"], [1387, null], [1729, "isotropic-pol"]], "ISTOP": [[838, null], [1210, "istop"]], "IV. Analysis of Intermolecular Interactions": [[1808, "IV.-Analysis-of-Intermolecular-Interactions"]], "Important BLAS Routines": [[1790, "important-blas-routines"]], "Important Lapack Routines": [[1790, "important-lapack-routines"]], "Important User Changes from cpp-optking": [[1782, "important-user-changes-from-cpp-optking"]], "InPsight": [[323, null]], "Incorporating code into <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1804, "incorporating-code-into-psifour"]], "Initial Guess": [[1818, "initial-guess"]], "Initialize release branch": [[1768, "initialize-release-branch"]], "Input": [[1742, "input"], [1755, "input"]], "Inputting effective core potentials (ECPs)": [[1710, "inputting-effective-core-potentials-ecps"]], "Installation": [[1, "installation"], [1723, "installation"], [1726, "installation"], [1729, "installation"], [1734, "installation"], [1739, "installation"], [1742, "installation"], [1745, "installation"], [1753, "installation"], [1754, "installation"], [1755, "installation"], [1762, "installation"], [1763, "installation"], [1764, "installation"], [1772, "installation"], [1783, "installation"], [1785, "installation"], [1786, "installation"], [1787, "installation"], [1819, "installation"]], "Installation and Runtime Configuration": [[1747, null]], "Installing BrianQC": [[1715, "installing-brianqc"]], "Installing Sphinx": [[1744, "installing-sphinx"]], "Instantiating integral objects": [[1797, "instantiating-integral-objects"]], "IntVector": [[88, null]], "Integral consuming technologies": [[1803, "integral-consuming-technologies"]], "Integral-Direct Density-Fitted Coulomb Construction": [[1818, "integral-direct-density-fitted-coulomb-construction"]], "IntegralFactory": [[89, null]], "IntegralTransform": [[90, null]], "Integrals in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1797, 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>": [[1795, null]], "Interface Details": [[1772, "interface-details"]], "Interface to CFOUR by J. Stanton & J. Gauss": [[1723, null]], "Interface to CPPE by M. Scheurer": [[1729, null]], "Interface to CheMPS2 by S. Wouters": [[1726, null]], "Interface to DFTD3 by S. Grimme": [[1739, null]], "Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess": [[1742, null]], "Interface to GDMA Distributed Multipole Analysis by A. J. Stone \u2014 gdma()": [[1755, null]], "Interface to GeomeTRIC": [[1782, "interface-to-geometric"]], "Interface to LIBEFP by I. Kaliman": [[1762, null]], "Interface to LibECPInt by R. Shaw": [[1745, null]], "Interface to Libint by E. Valeev": [[1763, null]], "Interface to Libxc by M. A. L. Marques": [[1764, null]], "Interface to MRCC by M. K\u00e1llay": [[1772, null]], "Interface to Molden \u2014 molden()": [[1771, null]], "Interface to NumPy": [[1777, null]], "Interface to PCMSolver by R. Di Remigio": [[1783, null]], "Interface to SIMINT by B. Pritchard": [[1819, 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": [[1734, null]], "Interface to gCP by S. Grimme": [[1754, null]], "Interface to gau2grid by D. G. A. Smith": [[1753, null]], "Interface to programs through FCHK files \u2014 fchk()": [[1749, null]], "Interface to the BrianQC GPU module by the BrianQC team": [[1715, null]], "Interfaces: Enhancing <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span> Capabilities": [[1760, null]], "Interfacing with <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1794, "interfacing-with-psifour"]], "Interpreting SAPT Results": [[1817, "interpreting-sapt-results"]], "Introduction": [[1730, "introduction"], [1736, "introduction"], [1743, "introduction"], [1761, null], [1778, "introduction"], [1797, "introduction"], [1818, "introduction"], [1821, "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>": [[1798, null]], "IrreducibleRepresentation": [[91, null]], "Isotopic Substitution": [[1813, "isotopic-substitution"]], "Iterative Algorithms": [[1733, "iterative-algorithms"]], "Iterative solver parameters": [[1734, "iterative-solver-parameters"]], "JK": [[92, null]], "JOBTYPE": [[516, null], [1202, "jobtype"]], "JSCH": [[1672, "jsch"], [1732, "jsch"]], "JSON": [[1701, null]], "Job Control Keywords": [[1812, "job-control-keywords"]], "KIND": [[1, "kind"], [403, null], [1197, "kind"]], "Keywords": [[400, "keywords"], [1715, "keywords"], [1730, "keywords"], [1742, "keywords"], [1816, "keywords"], [1823, "keywords"]], "Keywords by Alpha": [[1684, null]], "Keywords by Module": [[1685, null]], "Keywords for CPPE": [[1729, "keywords-for-cppe"]], "Keywords for PCMSolver": [[1783, "keywords-for-pcmsolver"]], "Keywords for adcc": [[1, "keywords-for-adcc"]], "KineticInt": [[93, null]], "Known limitations": [[1821, "known-limitations"]], "LAPACK Wrappers": [[1790, "lapack-wrappers"]], "LEVEL_SHIFT": [[928, null], [1184, null], [1213, 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Double underline \u201c\u2713\u0333\u201d or \u201c\u2237\u0333\u201d is default algorithm type when type selector (e.g., CC_TYPE) unspecified.": [[1761, "id59"]], "Summary of Dunning Douglas-Kroll orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1713, "id18"]], "Summary of Dunning F12 orbital basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1713, "id19"]], "Summary of Dunning JK-fitting basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1713, "id20"]], "Summary of Dunning MP2-fitting basis sets available in <span style=\"font-family: Optima, sans-serif; text-transform: none;\">P<span style=\"font-size: 82%;\">SI</span>4</span>": [[1713, "id21"]], "Summary of Dunning dual-basis helper basis sets available in <span style=\"font-family: Optima, sans-serif; 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"api/psi4.driver.p4util.get_psifile", "api/psi4.driver.p4util.getattr_ignorecase", "api/psi4.driver.p4util.hamiltonian_solver", "api/psi4.driver.p4util.hold_options_state", "api/psi4.driver.p4util.import_ignorecase", "api/psi4.driver.p4util.kwargs_lower", "api/psi4.driver.p4util.levenshtein", "api/psi4.driver.p4util.libint2_configuration", "api/psi4.driver.p4util.libint2_print_out", "api/psi4.driver.p4util.mat2arr", "api/psi4.driver.p4util.message_box", "api/psi4.driver.p4util.oeprop", "api/psi4.driver.p4util.pcm_helper", "api/psi4.driver.p4util.plump_qcvar", "api/psi4.driver.p4util.prefactor_ecd", "api/psi4.driver.p4util.prefactor_opa", "api/psi4.driver.p4util.prepare_options_for_modules", "api/psi4.driver.p4util.prepare_options_for_set_options", "api/psi4.driver.p4util.provenance_stamp", "api/psi4.driver.p4util.sanitize_method", "api/psi4.driver.p4util.set_memory", "api/psi4.driver.p4util.set_module_options", "api/psi4.driver.p4util.set_options", "api/psi4.driver.p4util.spectrum", "api/psi4.driver.p4util.state_to_atomicinput", "api/psi4.driver.pcm_helper", "api/psi4.driver.process_input", "api/psi4.driver.prop", "api/psi4.driver.properties", "api/psi4.driver.qcdb.vib.compare_vibinfos", "api/psi4.driver.qcdb.vib.filter_nonvib", "api/psi4.driver.qcdb.vib.filter_omega_to_real", "api/psi4.driver.qcdb.vib.harmonic_analysis", "api/psi4.driver.qcdb.vib.hessian_symmetrize", "api/psi4.driver.qcdb.vib.print_molden_vibs", "api/psi4.driver.qcdb.vib.print_vibs", "api/psi4.driver.qcdb.vib.thermo", "api/psi4.driver.sanitize_method", "api/psi4.driver.sanitize_name", "api/psi4.driver.scf_helper", "api/psi4.driver.scf_wavefunction_factory", "api/psi4.driver.set_memory", "api/psi4.driver.set_module_options", "api/psi4.driver.set_options", "api/psi4.driver.tdscf", "api/psi4.driver.vibanal_wfn", "appendices", "autodir_options_c/adc__cutoff_amps_print", "autodir_options_c/adc__gauge", "autodir_options_c/adc__kind", "autodir_options_c/adc__max_num_vecs", "autodir_options_c/adc__maxiter", "autodir_options_c/adc__num_core_orbitals", "autodir_options_c/adc__num_guesses", "autodir_options_c/adc__r_convergence", "autodir_options_c/adc__reference", "autodir_options_c/adc__roots_per_irrep", "autodir_options_c/ccdensity__ao_basis", "autodir_options_c/ccdensity__cachelevel", "autodir_options_c/ccdensity__debug", "autodir_options_c/ccdensity__gauge", "autodir_options_c/ccdensity__ints_tolerance", "autodir_options_c/ccdensity__opdm_only", "autodir_options_c/ccdensity__opdm_relax", "autodir_options_c/ccdensity__prop_all", "autodir_options_c/ccdensity__prop_root", "autodir_options_c/ccdensity__prop_sym", "autodir_options_c/ccdensity__reference", "autodir_options_c/ccdensity__roots_per_irrep", "autodir_options_c/ccdensity__wfn", "autodir_options_c/ccdensity__write_nos", "autodir_options_c/ccdensity__xi", "autodir_options_c/ccdensity__xi_connect", "autodir_options_c/ccdensity__zeta", "autodir_options_c/ccenergy__abcd", "autodir_options_c/ccenergy__analyze", "autodir_options_c/ccenergy__ao_basis", "autodir_options_c/ccenergy__bccd_maxiter", "autodir_options_c/ccenergy__brueckner_orbs_r_convergence", "autodir_options_c/ccenergy__cachelevel", "autodir_options_c/ccenergy__cachetype", "autodir_options_c/ccenergy__cc_num_threads", "autodir_options_c/ccenergy__cc_os_scale", "autodir_options_c/ccenergy__cc_ss_scale", "autodir_options_c/ccenergy__diis", "autodir_options_c/ccenergy__e_convergence", "autodir_options_c/ccenergy__force_restart", "autodir_options_c/ccenergy__local", "autodir_options_c/ccenergy__local_cphf_cutoff", "autodir_options_c/ccenergy__local_cutoff", "autodir_options_c/ccenergy__local_method", "autodir_options_c/ccenergy__local_pairdef", "autodir_options_c/ccenergy__local_weakp", "autodir_options_c/ccenergy__maxiter", "autodir_options_c/ccenergy__mp2_amps_print", "autodir_options_c/ccenergy__mp2_os_scale", "autodir_options_c/ccenergy__mp2_ss_scale", "autodir_options_c/ccenergy__new_triples", "autodir_options_c/ccenergy__num_amps_print", "autodir_options_c/ccenergy__pair_energies_print", "autodir_options_c/ccenergy__property", "autodir_options_c/ccenergy__r_convergence", "autodir_options_c/ccenergy__reference", "autodir_options_c/ccenergy__restart", "autodir_options_c/ccenergy__scs_ccsd", "autodir_options_c/ccenergy__scs_mp2", "autodir_options_c/ccenergy__scsn_mp2", "autodir_options_c/ccenergy__semicanonical", "autodir_options_c/ccenergy__t2_coupled", "autodir_options_c/ccenergy__t3_ws_incore", "autodir_options_c/ccenergy__wfn", "autodir_options_c/cceom__abcd", "autodir_options_c/cceom__cachelevel", "autodir_options_c/cceom__cachetype", "autodir_options_c/cceom__cc3_follow_root", "autodir_options_c/cceom__cc_num_threads", "autodir_options_c/cceom__collapse_with_last", "autodir_options_c/cceom__collapse_with_last_cc3", "autodir_options_c/cceom__complex_tolerance", "autodir_options_c/cceom__e_convergence", "autodir_options_c/cceom__eom_guess", "autodir_options_c/cceom__eom_reference", "autodir_options_c/cceom__excitation_range", "autodir_options_c/cceom__full_matrix", "autodir_options_c/cceom__local", "autodir_options_c/cceom__local_cutoff", "autodir_options_c/cceom__local_do_singles", "autodir_options_c/cceom__local_filter_singles", "autodir_options_c/cceom__local_method", "autodir_options_c/cceom__local_preconditioner", "autodir_options_c/cceom__local_weakp", "autodir_options_c/cceom__maxiter", "autodir_options_c/cceom__new_triples", "autodir_options_c/cceom__num_amps_print", "autodir_options_c/cceom__overlap_check", "autodir_options_c/cceom__prop_root", "autodir_options_c/cceom__prop_sym", "autodir_options_c/cceom__r_convergence", "autodir_options_c/cceom__reference", "autodir_options_c/cceom__restart_eom_cc3", "autodir_options_c/cceom__rhf_triplets", "autodir_options_c/cceom__roots_per_irrep", "autodir_options_c/cceom__schmidt_add_residual_tolerance", "autodir_options_c/cceom__semicanonical", "autodir_options_c/cceom__singles_print", "autodir_options_c/cceom__ss_e_convergence", "autodir_options_c/cceom__ss_r_convergence", "autodir_options_c/cceom__ss_skip_diag", "autodir_options_c/cceom__ss_vecs_per_root", "autodir_options_c/cceom__t3_ws_incore", "autodir_options_c/cceom__vecs_cc3", "autodir_options_c/cceom__vecs_per_root", "autodir_options_c/cceom__wfn", "autodir_options_c/cchbar__cachelevel", "autodir_options_c/cchbar__eom_reference", "autodir_options_c/cchbar__t_amps", "autodir_options_c/cchbar__wabei_lowdisk", "autodir_options_c/cchbar__wfn", "autodir_options_c/cclambda__abcd", "autodir_options_c/cclambda__ao_basis", "autodir_options_c/cclambda__cachelevel", "autodir_options_c/cclambda__diis", "autodir_options_c/cclambda__jobtype", "autodir_options_c/cclambda__local", "autodir_options_c/cclambda__local_cphf_cutoff", "autodir_options_c/cclambda__local_cutoff", "autodir_options_c/cclambda__local_filter_singles", "autodir_options_c/cclambda__local_method", "autodir_options_c/cclambda__local_pairdef", "autodir_options_c/cclambda__local_weakp", "autodir_options_c/cclambda__maxiter", "autodir_options_c/cclambda__num_amps_print", "autodir_options_c/cclambda__prop_all", "autodir_options_c/cclambda__prop_root", "autodir_options_c/cclambda__prop_sym", "autodir_options_c/cclambda__r_convergence", "autodir_options_c/cclambda__restart", "autodir_options_c/cclambda__roots_per_irrep", "autodir_options_c/cclambda__sekino", "autodir_options_c/cclambda__wfn", "autodir_options_c/cclambda__zeta", "autodir_options_c/ccresponse__abcd", "autodir_options_c/ccresponse__analyze", "autodir_options_c/ccresponse__cachelevel", "autodir_options_c/ccresponse__diis", "autodir_options_c/ccresponse__gauge", "autodir_options_c/ccresponse__linear", "autodir_options_c/ccresponse__local", "autodir_options_c/ccresponse__local_cphf_cutoff", "autodir_options_c/ccresponse__local_cutoff", "autodir_options_c/ccresponse__local_filter_singles", "autodir_options_c/ccresponse__local_method", "autodir_options_c/ccresponse__local_pairdef", "autodir_options_c/ccresponse__local_weakp", "autodir_options_c/ccresponse__maxiter", "autodir_options_c/ccresponse__num_amps_print", "autodir_options_c/ccresponse__omega", "autodir_options_c/ccresponse__property", "autodir_options_c/ccresponse__r_convergence", "autodir_options_c/ccresponse__reference", "autodir_options_c/ccresponse__restart", "autodir_options_c/ccresponse__sekino", "autodir_options_c/ccresponse__wfn", "autodir_options_c/cctransort__ao_basis", "autodir_options_c/cctransort__cachelevel", "autodir_options_c/cctransort__delete_tei", "autodir_options_c/cctransort__reference", "autodir_options_c/cctransort__run_cctransort", "autodir_options_c/cctransort__semicanonical", "autodir_options_c/cctransort__wfn", "autodir_options_c/cctriples__cc_num_threads", "autodir_options_c/cctriples__reference", "autodir_options_c/cctriples__semicanonical", "autodir_options_c/cctriples__wfn", "autodir_options_c/cfour__cfour_abcdtype", "autodir_options_c/cfour__cfour_active_orbi", "autodir_options_c/cfour__cfour_anh_algorithm", "autodir_options_c/cfour__cfour_anh_derivatives", "autodir_options_c/cfour__cfour_anh_stepsize", "autodir_options_c/cfour__cfour_anh_symmetry", "autodir_options_c/cfour__cfour_anharmonic", "autodir_options_c/cfour__cfour_ao_ladders", "autodir_options_c/cfour__cfour_av_scf", "autodir_options_c/cfour__cfour_basis", "autodir_options_c/cfour__cfour_bruck_conv", "autodir_options_c/cfour__cfour_brueckner", "autodir_options_c/cfour__cfour_cache_recs", "autodir_options_c/cfour__cfour_calc_level", "autodir_options_c/cfour__cfour_cc_conv", "autodir_options_c/cfour__cfour_cc_exporder", "autodir_options_c/cfour__cfour_cc_extrapolation", "autodir_options_c/cfour__cfour_cc_maxcyc", "autodir_options_c/cfour__cfour_cc_program", "autodir_options_c/cfour__cfour_charge", "autodir_options_c/cfour__cfour_cis_conv", "autodir_options_c/cfour__cfour_continuum", "autodir_options_c/cfour__cfour_contraction", "autodir_options_c/cfour__cfour_convergence", "autodir_options_c/cfour__cfour_coordinates", "autodir_options_c/cfour__cfour_core_orbitals", "autodir_options_c/cfour__cfour_cphf_conver", "autodir_options_c/cfour__cfour_cphf_maxcyc", "autodir_options_c/cfour__cfour_curvilinear", "autodir_options_c/cfour__cfour_dboc", "autodir_options_c/cfour__cfour_dct", "autodir_options_c/cfour__cfour_deriv_level", "autodir_options_c/cfour__cfour_diff_type", "autodir_options_c/cfour__cfour_dropmo", "autodir_options_c/cfour__cfour_ecp", "autodir_options_c/cfour__cfour_eigenvector", "autodir_options_c/cfour__cfour_el_anharm", "autodir_options_c/cfour__cfour_eom_nonit", "autodir_options_c/cfour__cfour_estate_conv", "autodir_options_c/cfour__cfour_estate_maxcyc", "autodir_options_c/cfour__cfour_estate_prop", "autodir_options_c/cfour__cfour_estate_sym", "autodir_options_c/cfour__cfour_estate_trans", "autodir_options_c/cfour__cfour_eval_hess", "autodir_options_c/cfour__cfour_excitation", "autodir_options_c/cfour__cfour_excite", "autodir_options_c/cfour__cfour_fc_field", "autodir_options_c/cfour__cfour_fd_calctype", "autodir_options_c/cfour__cfour_fd_irreps", "autodir_options_c/cfour__cfour_fd_project", "autodir_options_c/cfour__cfour_fd_stepsize", "autodir_options_c/cfour__cfour_fd_usegroup", "autodir_options_c/cfour__cfour_file_recsiz", "autodir_options_c/cfour__cfour_file_stripe", "autodir_options_c/cfour__cfour_finite_perturbation", "autodir_options_c/cfour__cfour_fock", "autodir_options_c/cfour__cfour_freq_algorithm", "autodir_options_c/cfour__cfour_frozen_core", "autodir_options_c/cfour__cfour_frozen_virt", "autodir_options_c/cfour__cfour_gamma_abcd", "autodir_options_c/cfour__cfour_genbas_1", "autodir_options_c/cfour__cfour_genbas_2", "autodir_options_c/cfour__cfour_genbas_3", "autodir_options_c/cfour__cfour_genbas_4", "autodir_options_c/cfour__cfour_geo_conv", "autodir_options_c/cfour__cfour_geo_maxcyc", "autodir_options_c/cfour__cfour_geo_maxstep", "autodir_options_c/cfour__cfour_geo_method", "autodir_options_c/cfour__cfour_giao", "autodir_options_c/cfour__cfour_grid", "autodir_options_c/cfour__cfour_guess", "autodir_options_c/cfour__cfour_hbar", "autodir_options_c/cfour__cfour_hfstability", "autodir_options_c/cfour__cfour_incore", "autodir_options_c/cfour__cfour_input_mrcc", "autodir_options_c/cfour__cfour_integrals", "autodir_options_c/cfour__cfour_joda_print", "autodir_options_c/cfour__cfour_lineq_conv", "autodir_options_c/cfour__cfour_lineq_maxcy", "autodir_options_c/cfour__cfour_lineq_type", "autodir_options_c/cfour__cfour_lock_orbocc", "autodir_options_c/cfour__cfour_maxstep", "autodir_options_c/cfour__cfour_mem_unit", "autodir_options_c/cfour__cfour_memory_size", "autodir_options_c/cfour__cfour_method", "autodir_options_c/cfour__cfour_mrcc", "autodir_options_c/cfour__cfour_multiplicity", "autodir_options_c/cfour__cfour_nacoupling", "autodir_options_c/cfour__cfour_negeval", "autodir_options_c/cfour__cfour_newnorm", "autodir_options_c/cfour__cfour_nonhf", "autodir_options_c/cfour__cfour_ntop_tamp", "autodir_options_c/cfour__cfour_occupation", "autodir_options_c/cfour__cfour_omp_num_threads", "autodir_options_c/cfour__cfour_open-shell", "autodir_options_c/cfour__cfour_opt_maxcyc", "autodir_options_c/cfour__cfour_orbitals", "autodir_options_c/cfour__cfour_pert_orb", "autodir_options_c/cfour__cfour_points", "autodir_options_c/cfour__cfour_print", "autodir_options_c/cfour__cfour_prop_integral", "autodir_options_c/cfour__cfour_props", "autodir_options_c/cfour__cfour_qrhf_general", "autodir_options_c/cfour__cfour_qrhf_orbital", "autodir_options_c/cfour__cfour_qrhfgues", "autodir_options_c/cfour__cfour_raman_int", "autodir_options_c/cfour__cfour_raman_orb", "autodir_options_c/cfour__cfour_rdo", "autodir_options_c/cfour__cfour_reference", "autodir_options_c/cfour__cfour_relativistic", "autodir_options_c/cfour__cfour_relax_dens", "autodir_options_c/cfour__cfour_res_raman", "autodir_options_c/cfour__cfour_restart_cc", "autodir_options_c/cfour__cfour_rot_evec", "autodir_options_c/cfour__cfour_save_ints", "autodir_options_c/cfour__cfour_scale_on", "autodir_options_c/cfour__cfour_scf_conv", "autodir_options_c/cfour__cfour_scf_damping", "autodir_options_c/cfour__cfour_scf_exporder", "autodir_options_c/cfour__cfour_scf_expstart", "autodir_options_c/cfour__cfour_scf_extrapolation", "autodir_options_c/cfour__cfour_scf_maxcyc", "autodir_options_c/cfour__cfour_sd_field", "autodir_options_c/cfour__cfour_spherical", "autodir_options_c/cfour__cfour_spin_flip", "autodir_options_c/cfour__cfour_spin_orbit", "autodir_options_c/cfour__cfour_spin_scal", "autodir_options_c/cfour__cfour_spinrotation", "autodir_options_c/cfour__cfour_subgroup", "autodir_options_c/cfour__cfour_sym_check", "autodir_options_c/cfour__cfour_symmetry", "autodir_options_c/cfour__cfour_t3_extrapol", "autodir_options_c/cfour__cfour_tamp_sum", "autodir_options_c/cfour__cfour_thermochemistry", "autodir_options_c/cfour__cfour_trans_inv", "autodir_options_c/cfour__cfour_treat_pert", "autodir_options_c/cfour__cfour_uij_threshold", "autodir_options_c/cfour__cfour_units", "autodir_options_c/cfour__cfour_update_hessian", "autodir_options_c/cfour__cfour_vibration", "autodir_options_c/cfour__cfour_vtran", "autodir_options_c/cfour__cfour_xfield", "autodir_options_c/cfour__cfour_xform_tol", "autodir_options_c/cfour__cfour_yfield", "autodir_options_c/cfour__cfour_zfield", "autodir_options_c/cfour__translate_psi4", "autodir_options_c/cphf__cphf_mem_safety_factor", "autodir_options_c/cphf__cphf_tasks", "autodir_options_c/cphf__debug", "autodir_options_c/cphf__df_basis_scf", "autodir_options_c/cphf__explicit_hamiltonian", "autodir_options_c/cphf__module", "autodir_options_c/cphf__print", "autodir_options_c/cphf__scf_type", "autodir_options_c/cphf__solver_convergence", "autodir_options_c/cphf__solver_maxiter", "autodir_options_c/cphf__solver_n_guess", "autodir_options_c/cphf__solver_precondition", "autodir_options_c/dct__algorithm", "autodir_options_c/dct__ao_basis", "autodir_options_c/dct__cachelevel", "autodir_options_c/dct__damping_percentage", "autodir_options_c/dct__dct_functional", "autodir_options_c/dct__dct_guess", "autodir_options_c/dct__dct_type", "autodir_options_c/dct__df_basis_dct", "autodir_options_c/dct__diis_max_vecs", "autodir_options_c/dct__diis_min_vecs", "autodir_options_c/dct__diis_start_convergence", "autodir_options_c/dct__e_convergence", "autodir_options_c/dct__energy_level_shift", "autodir_options_c/dct__guess_r_convergence", "autodir_options_c/dct__ints_tolerance", "autodir_options_c/dct__maxiter", "autodir_options_c/dct__odc_guess", "autodir_options_c/dct__opdm", "autodir_options_c/dct__orbital_level_shift", "autodir_options_c/dct__qc_coupling", "autodir_options_c/dct__qc_type", "autodir_options_c/dct__r_convergence", "autodir_options_c/dct__reference", "autodir_options_c/dct__relax_guess_orbitals", "autodir_options_c/dct__response_algorithm", "autodir_options_c/dct__stability_add_vectors", "autodir_options_c/dct__stability_augment_space_tol", "autodir_options_c/dct__stability_check", "autodir_options_c/dct__stability_convergence", "autodir_options_c/dct__stability_max_space_size", "autodir_options_c/dct__stability_n_eigenvalues", "autodir_options_c/dct__stability_n_guess_vectors", "autodir_options_c/dct__three_particle", "autodir_options_c/dct__tikhonow_omega", "autodir_options_c/ddx__ddx_diis_max_vecs", "autodir_options_c/ddx__ddx_eta", "autodir_options_c/ddx__ddx_fmm", "autodir_options_c/ddx__ddx_fmm_local_lmax", "autodir_options_c/ddx__ddx_fmm_multipole_lmax", "autodir_options_c/ddx__ddx_incore", "autodir_options_c/ddx__ddx_lmax", "autodir_options_c/ddx__ddx_logfile", "autodir_options_c/ddx__ddx_maxiter", "autodir_options_c/ddx__ddx_model", "autodir_options_c/ddx__ddx_n_lebedev", "autodir_options_c/ddx__ddx_radii", "autodir_options_c/ddx__ddx_radii_scaling", "autodir_options_c/ddx__ddx_radii_set", "autodir_options_c/ddx__ddx_shift", "autodir_options_c/ddx__ddx_solute_radial_points", "autodir_options_c/ddx__ddx_solute_spherical_points", "autodir_options_c/ddx__ddx_solvation_convergence", "autodir_options_c/ddx__ddx_solvent", "autodir_options_c/ddx__ddx_solvent_epsilon", "autodir_options_c/ddx__ddx_solvent_epsilon_optical", "autodir_options_c/ddx__ddx_solvent_kappa", "autodir_options_c/detci__a_ras3_max", "autodir_options_c/detci__avg_states", "autodir_options_c/detci__avg_weights", "autodir_options_c/detci__b_ras3_max", "autodir_options_c/detci__bendazzoli", "autodir_options_c/detci__calc_s_squared", "autodir_options_c/detci__cc", "autodir_options_c/detci__cc_a_ras3_max", "autodir_options_c/detci__cc_b_ras3_max", "autodir_options_c/detci__cc_ex_level", "autodir_options_c/detci__cc_fix_external", "autodir_options_c/detci__cc_fix_external_min", "autodir_options_c/detci__cc_macro", "autodir_options_c/detci__cc_mixed", "autodir_options_c/detci__cc_ras34_max", "autodir_options_c/detci__cc_ras3_max", "autodir_options_c/detci__cc_ras4_max", "autodir_options_c/detci__cc_update_eps", "autodir_options_c/detci__cc_val_ex_level", "autodir_options_c/detci__cc_variational", "autodir_options_c/detci__cc_vecs_read", "autodir_options_c/detci__cc_vecs_write", "autodir_options_c/detci__ci_file_start", "autodir_options_c/detci__ci_maxiter", "autodir_options_c/detci__ci_num_threads", "autodir_options_c/detci__ciblks_print", "autodir_options_c/detci__collapse_size", "autodir_options_c/detci__detci_freeze_core", "autodir_options_c/detci__df_basis_mcscf", "autodir_options_c/detci__diag_method", "autodir_options_c/detci__diis", "autodir_options_c/detci__diis_freq", "autodir_options_c/detci__diis_max_vecs", "autodir_options_c/detci__diis_min_vecs", "autodir_options_c/detci__diis_start_iter", "autodir_options_c/detci__dipmom", "autodir_options_c/detci__e_convergence", "autodir_options_c/detci__ex_allow", "autodir_options_c/detci__ex_level", "autodir_options_c/detci__fci", "autodir_options_c/detci__fci_strings", "autodir_options_c/detci__filter_guess", "autodir_options_c/detci__filter_guess_det1", "autodir_options_c/detci__filter_guess_det2", "autodir_options_c/detci__filter_guess_sign", "autodir_options_c/detci__filter_zero_det", "autodir_options_c/detci__follow_root", "autodir_options_c/detci__follow_vector", "autodir_options_c/detci__guess_vector", "autodir_options_c/detci__h0_block_coupling", "autodir_options_c/detci__h0_block_coupling_size", "autodir_options_c/detci__h0_blocksize", "autodir_options_c/detci__h0_guess_size", "autodir_options_c/detci__hd_avg", "autodir_options_c/detci__hd_otf", "autodir_options_c/detci__icore", "autodir_options_c/detci__istop", "autodir_options_c/detci__lse", "autodir_options_c/detci__lse_collapse", "autodir_options_c/detci__lse_tolerance", "autodir_options_c/detci__max_num_vecs", "autodir_options_c/detci__mcscf_algorithm", "autodir_options_c/detci__mcscf_ci_cleanup", "autodir_options_c/detci__mcscf_diis_error_type", "autodir_options_c/detci__mcscf_diis_freq", "autodir_options_c/detci__mcscf_diis_max_vecs", "autodir_options_c/detci__mcscf_diis_start", "autodir_options_c/detci__mcscf_dpd_cleanup", "autodir_options_c/detci__mcscf_e_convergence", "autodir_options_c/detci__mcscf_guess", "autodir_options_c/detci__mcscf_max_rot", "autodir_options_c/detci__mcscf_maxiter", "autodir_options_c/detci__mcscf_r_convergence", "autodir_options_c/detci__mcscf_rotate", "autodir_options_c/detci__mcscf_so_start_e", "autodir_options_c/detci__mcscf_so_start_grad", "autodir_options_c/detci__mcscf_type", "autodir_options_c/detci__mixed", "autodir_options_c/detci__mixed4", "autodir_options_c/detci__mpn", "autodir_options_c/detci__mpn_order_save", "autodir_options_c/detci__mpn_schmidt", "autodir_options_c/detci__mpn_wigner", "autodir_options_c/detci__ms0", "autodir_options_c/detci__nat_orbs", "autodir_options_c/detci__no_dfile", "autodir_options_c/detci__num_amps_print", "autodir_options_c/detci__num_dets_print", "autodir_options_c/detci__num_init_vecs", "autodir_options_c/detci__num_roots", "autodir_options_c/detci__opdm", "autodir_options_c/detci__perturb_magnitude", "autodir_options_c/detci__preconditioner", "autodir_options_c/detci__r4s", "autodir_options_c/detci__r_convergence", "autodir_options_c/detci__ras34_max", "autodir_options_c/detci__ras3_max", "autodir_options_c/detci__ras4_max", "autodir_options_c/detci__reference", "autodir_options_c/detci__reference_sym", "autodir_options_c/detci__repl_otf", "autodir_options_c/detci__restart", "autodir_options_c/detci__s", "autodir_options_c/detci__sf_restrict", "autodir_options_c/detci__sigma_overlap", "autodir_options_c/detci__tdm", "autodir_options_c/detci__tpdm", "autodir_options_c/detci__update", "autodir_options_c/detci__val_ex_level", "autodir_options_c/detci__wfn", "autodir_options_c/dfep2__df_basis_ep2", "autodir_options_c/dfep2__ep2_convergence", "autodir_options_c/dfep2__ep2_maxiter", "autodir_options_c/dfep2__ep2_num_ea", "autodir_options_c/dfep2__ep2_num_ip", "autodir_options_c/dfep2__ep2_orbitals", "autodir_options_c/dfmp2__basis", "autodir_options_c/dfmp2__df_basis_mp2", "autodir_options_c/dfmp2__df_ints_io", "autodir_options_c/dfmp2__df_ints_num_threads", "autodir_options_c/dfmp2__dfmp2_mem_factor", "autodir_options_c/dfmp2__dfmp2_p2_tolerance", "autodir_options_c/dfmp2__dfmp2_p_tolerance", "autodir_options_c/dfmp2__ints_tolerance", "autodir_options_c/dfmp2__madmp2_sleep", "autodir_options_c/dfmp2__mp2_os_scale", "autodir_options_c/dfmp2__mp2_ss_scale", "autodir_options_c/dfmp2__onepdm", "autodir_options_c/dfmp2__opdm_relax", "autodir_options_c/dfocc__cc_diis_max_vecs", "autodir_options_c/dfocc__cc_diis_min_vecs", "autodir_options_c/dfocc__cc_lambda", "autodir_options_c/dfocc__cc_maxiter", "autodir_options_c/dfocc__cholesky", "autodir_options_c/dfocc__cholesky_tolerance", "autodir_options_c/dfocc__comput_s2", "autodir_options_c/dfocc__cutoff", "autodir_options_c/dfocc__do_diis", "autodir_options_c/dfocc__do_level_shift", "autodir_options_c/dfocc__do_scs", "autodir_options_c/dfocc__do_sos", "autodir_options_c/dfocc__e3_scale", "autodir_options_c/dfocc__e_convergence", "autodir_options_c/dfocc__ekt_ip", "autodir_options_c/dfocc__hess_type", "autodir_options_c/dfocc__integral_cutoff", "autodir_options_c/dfocc__level_shift", "autodir_options_c/dfocc__lineq_solver", "autodir_options_c/dfocc__max_mograd_convergence", "autodir_options_c/dfocc__mo_diis_num_vecs", "autodir_options_c/dfocc__mo_maxiter", "autodir_options_c/dfocc__mo_step_max", "autodir_options_c/dfocc__molden_write", "autodir_options_c/dfocc__mp2_amp_type", "autodir_options_c/dfocc__mp2_os_scale", "autodir_options_c/dfocc__mp2_sos_scale", "autodir_options_c/dfocc__mp2_sos_scale2", "autodir_options_c/dfocc__mp2_ss_scale", "autodir_options_c/dfocc__nat_orbs", "autodir_options_c/dfocc__occ_orbs_print", "autodir_options_c/dfocc__oeprop", "autodir_options_c/dfocc__oo_scale", "autodir_options_c/dfocc__opt_method", "autodir_options_c/dfocc__orb_opt", "autodir_options_c/dfocc__orb_resp_solver", "autodir_options_c/dfocc__orth_type", "autodir_options_c/dfocc__pcg_beta_type", "autodir_options_c/dfocc__pcg_convergence", "autodir_options_c/dfocc__pcg_maxiter", "autodir_options_c/dfocc__ppl_type", "autodir_options_c/dfocc__qchf", "autodir_options_c/dfocc__r_convergence", "autodir_options_c/dfocc__read_scf_3index", "autodir_options_c/dfocc__reg_param", "autodir_options_c/dfocc__regularization", "autodir_options_c/dfocc__remp_a", "autodir_options_c/dfocc__rms_mograd_convergence", "autodir_options_c/dfocc__scs_type", "autodir_options_c/dfocc__sos_type", "autodir_options_c/dfocc__triples_iabc_type", "autodir_options_c/dfocc__wfn_type", "autodir_options_c/dlpno__df_basis_mp2", "autodir_options_c/dlpno__dlpno_algorithm", "autodir_options_c/dlpno__dlpno_local_orbitals", "autodir_options_c/dlpno__dlpno_maxiter", "autodir_options_c/dlpno__doi_basis_tolerance", "autodir_options_c/dlpno__doi_pruning_scheme", "autodir_options_c/dlpno__doi_radial_points", "autodir_options_c/dlpno__doi_spherical_points", "autodir_options_c/dlpno__e_convergence", "autodir_options_c/dlpno__f_cut", "autodir_options_c/dlpno__local_convergence", "autodir_options_c/dlpno__local_maxiter", "autodir_options_c/dlpno__pno_convergence", "autodir_options_c/dlpno__r_convergence", "autodir_options_c/dlpno__s_cut", "autodir_options_c/dlpno__t_cut_clmo", "autodir_options_c/dlpno__t_cut_cpao", "autodir_options_c/dlpno__t_cut_do", "autodir_options_c/dlpno__t_cut_do_ij", "autodir_options_c/dlpno__t_cut_do_pre", "autodir_options_c/dlpno__t_cut_mkn", "autodir_options_c/dlpno__t_cut_pno", "autodir_options_c/dlpno__t_cut_pre", "autodir_options_c/dmrg__dmrg_caspt2_calc", "autodir_options_c/dmrg__dmrg_caspt2_imag", "autodir_options_c/dmrg__dmrg_caspt2_ipea", "autodir_options_c/dmrg__dmrg_caspt2_orbs", "autodir_options_c/dmrg__dmrg_diis", "autodir_options_c/dmrg__dmrg_diis_write", "autodir_options_c/dmrg__dmrg_excitation", "autodir_options_c/dmrg__dmrg_irrep", "autodir_options_c/dmrg__dmrg_local_init", "autodir_options_c/dmrg__dmrg_molden_write", "autodir_options_c/dmrg__dmrg_mps_write", "autodir_options_c/dmrg__dmrg_multiplicity", "autodir_options_c/dmrg__dmrg_opdm_ao_print", "autodir_options_c/dmrg__dmrg_print_corr", "autodir_options_c/dmrg__dmrg_scf_active_space", "autodir_options_c/dmrg__dmrg_scf_diis_thr", "autodir_options_c/dmrg__dmrg_scf_grad_thr", "autodir_options_c/dmrg__dmrg_scf_max_iter", "autodir_options_c/dmrg__dmrg_scf_state_avg", "autodir_options_c/dmrg__dmrg_sweep_dvdson_rtol", "autodir_options_c/dmrg__dmrg_sweep_energy_conv", "autodir_options_c/dmrg__dmrg_sweep_max_sweeps", "autodir_options_c/dmrg__dmrg_sweep_noise_prefac", "autodir_options_c/dmrg__dmrg_sweep_states", "autodir_options_c/dmrg__dmrg_unitary_write", "autodir_options_c/efp__dertype", "autodir_options_c/efp__efp_disp", "autodir_options_c/efp__efp_disp_damping", "autodir_options_c/efp__efp_elst", "autodir_options_c/efp__efp_elst_damping", "autodir_options_c/efp__efp_exch", "autodir_options_c/efp__efp_ind", "autodir_options_c/efp__efp_ind_damping", "autodir_options_c/efp__efp_qm_elst", "autodir_options_c/efp__efp_qm_ind", "autodir_options_c/efp__print", "autodir_options_c/efp__qmefp", "autodir_options_c/findif__disp_size", "autodir_options_c/findif__fd_project", "autodir_options_c/findif__gradient_write", "autodir_options_c/findif__hessian_write", "autodir_options_c/findif__normal_modes_write", "autodir_options_c/findif__points", "autodir_options_c/fisapt__cphf_r_convergence", "autodir_options_c/fisapt__cubic_basis_tolerance", "autodir_options_c/fisapt__cubic_block_max_points", "autodir_options_c/fisapt__cubic_grid_overage", "autodir_options_c/fisapt__cubic_grid_spacing", "autodir_options_c/fisapt__fisapt_charge_completeness", "autodir_options_c/fisapt__fisapt_cube_densmat", "autodir_options_c/fisapt__fisapt_cube_linkibos", "autodir_options_c/fisapt__fisapt_cube_linkihos", "autodir_options_c/fisapt__fisapt_do_fsapt", "autodir_options_c/fisapt__fisapt_do_fsapt_disp", "autodir_options_c/fisapt__fisapt_do_plot", "autodir_options_c/fisapt__fisapt_exch_parperp", "autodir_options_c/fisapt__fisapt_fsapt_exch_scale", "autodir_options_c/fisapt__fisapt_fsapt_filepath", "autodir_options_c/fisapt__fisapt_fsapt_ind_response", "autodir_options_c/fisapt__fisapt_fsapt_ind_scale", "autodir_options_c/fisapt__fisapt_fssapt_filepath", "autodir_options_c/fisapt__fisapt_link_assignment", "autodir_options_c/fisapt__fisapt_link_ortho", "autodir_options_c/fisapt__fisapt_link_selection", "autodir_options_c/fisapt__fisapt_manual_links", "autodir_options_c/fisapt__fisapt_mem_safety_factor", "autodir_options_c/fisapt__fisapt_plot_filepath", "autodir_options_c/fisapt__ints_tolerance", "autodir_options_c/fisapt__local_convergence", "autodir_options_c/fisapt__local_ibo_condition", "autodir_options_c/fisapt__local_ibo_power", "autodir_options_c/fisapt__local_ibo_stars", "autodir_options_c/fisapt__local_ibo_stars_completeness", "autodir_options_c/fisapt__local_ibo_use_stars", "autodir_options_c/fisapt__local_maxiter", "autodir_options_c/fisapt__local_use_ghosts", "autodir_options_c/fisapt__maxiter", "autodir_options_c/fisapt__minao_basis", "autodir_options_c/fisapt__ssapt0_scale", "autodir_options_c/fnocc__active_nat_orbs", "autodir_options_c/fnocc__brueckner_maxiter", "autodir_options_c/fnocc__cc_scale_os", "autodir_options_c/fnocc__cc_scale_ss", "autodir_options_c/fnocc__cc_timings", "autodir_options_c/fnocc__cepa_level", "autodir_options_c/fnocc__cepa_no_singles", "autodir_options_c/fnocc__cholesky_tolerance", "autodir_options_c/fnocc__compute_mp4_triples", "autodir_options_c/fnocc__compute_triples", "autodir_options_c/fnocc__df_basis_cc", "autodir_options_c/fnocc__dfcc", "autodir_options_c/fnocc__diis_max_vecs", "autodir_options_c/fnocc__dipmom", "autodir_options_c/fnocc__e_convergence", "autodir_options_c/fnocc__maxiter", "autodir_options_c/fnocc__mp2_scale_os", "autodir_options_c/fnocc__mp2_scale_ss", "autodir_options_c/fnocc__nat_orbs", "autodir_options_c/fnocc__occ_percentage", "autodir_options_c/fnocc__occ_tolerance", "autodir_options_c/fnocc__r_convergence", "autodir_options_c/fnocc__run_ccsd", "autodir_options_c/fnocc__run_cepa", "autodir_options_c/fnocc__run_mp2", "autodir_options_c/fnocc__run_mp3", "autodir_options_c/fnocc__run_mp4", "autodir_options_c/fnocc__scs_ccsd", "autodir_options_c/fnocc__scs_cepa", "autodir_options_c/fnocc__scs_mp2", "autodir_options_c/fnocc__triples_low_memory", "autodir_options_c/fnocc__use_df_ints", "autodir_options_c/gdma__gdma_limit", "autodir_options_c/gdma__gdma_multipole_units", "autodir_options_c/gdma__gdma_origin", "autodir_options_c/gdma__gdma_radius", "autodir_options_c/gdma__gdma_switch", "autodir_options_c/globals__active", "autodir_options_c/globals__basis_relativistic", "autodir_options_c/globals__bench", "autodir_options_c/globals__brianqc_enable", "autodir_options_c/globals__cc_type", "autodir_options_c/globals__ci_type", "autodir_options_c/globals__cubeprop_basis_functions", "autodir_options_c/globals__cubeprop_filepath", "autodir_options_c/globals__cubeprop_isocontour_threshold", "autodir_options_c/globals__cubeprop_orbitals", "autodir_options_c/globals__cubeprop_tasks", "autodir_options_c/globals__cubic_basis_tolerance", "autodir_options_c/globals__cubic_block_max_points", "autodir_options_c/globals__cubic_grid_overage", "autodir_options_c/globals__cubic_grid_spacing", "autodir_options_c/globals__ddx", "autodir_options_c/globals__debug", "autodir_options_c/globals__dertype", "autodir_options_c/globals__df_basis_cc", "autodir_options_c/globals__die_if_not_converged", "autodir_options_c/globals__dkh_order", "autodir_options_c/globals__docc", "autodir_options_c/globals__external_potential_symmetry", "autodir_options_c/globals__freeze_core", "autodir_options_c/globals__freeze_core_policy", "autodir_options_c/globals__frozen_docc", "autodir_options_c/globals__frozen_uocc", "autodir_options_c/globals__integral_package", "autodir_options_c/globals__literal_cfour", "autodir_options_c/globals__ls_thc_basis_tolerance", "autodir_options_c/globals__ls_thc_df", "autodir_options_c/globals__ls_thc_pruning_scheme", "autodir_options_c/globals__ls_thc_radial_points", "autodir_options_c/globals__ls_thc_s_epsilon", "autodir_options_c/globals__ls_thc_spherical_points", "autodir_options_c/globals__ls_thc_weights_tolerance", "autodir_options_c/globals__mat_num_column_print", "autodir_options_c/globals__max_radial_moment", "autodir_options_c/globals__mbis_d_convergence", "autodir_options_c/globals__mbis_maxiter", "autodir_options_c/globals__mbis_pruning_scheme", "autodir_options_c/globals__mbis_radial_points", "autodir_options_c/globals__mbis_spherical_points", "autodir_options_c/globals__molden_with_virtual", "autodir_options_c/globals__mp2_type", "autodir_options_c/globals__mp_type", "autodir_options_c/globals__num_frozen_docc", "autodir_options_c/globals__num_frozen_uocc", "autodir_options_c/globals__parent_symmetry", "autodir_options_c/globals__pcm", "autodir_options_c/globals__pe", "autodir_options_c/globals__print", "autodir_options_c/globals__print_noons", "autodir_options_c/globals__properties", "autodir_options_c/globals__properties_origin", "autodir_options_c/globals__puream", "autodir_options_c/globals__qc_module", "autodir_options_c/globals__ras1", "autodir_options_c/globals__ras2", "autodir_options_c/globals__ras3", "autodir_options_c/globals__ras4", "autodir_options_c/globals__relativistic", "autodir_options_c/globals__restricted_docc", "autodir_options_c/globals__restricted_uocc", "autodir_options_c/globals__scf_type", "autodir_options_c/globals__screening", "autodir_options_c/globals__socc", "autodir_options_c/globals__wfn", "autodir_options_c/globals__writer_file_label", "autodir_options_c/mcscf__canonicalize_active_favg", "autodir_options_c/mcscf__canonicalize_inactive_favg", "autodir_options_c/mcscf__ci_diis", "autodir_options_c/mcscf__d_convergence", "autodir_options_c/mcscf__diis", "autodir_options_c/mcscf__diis_max_vecs", "autodir_options_c/mcscf__docc", "autodir_options_c/mcscf__e_convergence", "autodir_options_c/mcscf__favg", "autodir_options_c/mcscf__favg_start", "autodir_options_c/mcscf__follow_root", "autodir_options_c/mcscf__force_twocon", "autodir_options_c/mcscf__internal_rotations", "autodir_options_c/mcscf__level_shift", "autodir_options_c/mcscf__maxiter", "autodir_options_c/mcscf__mo_read", "autodir_options_c/mcscf__reference", "autodir_options_c/mcscf__rotate_mo_angle", "autodir_options_c/mcscf__rotate_mo_irrep", "autodir_options_c/mcscf__rotate_mo_p", "autodir_options_c/mcscf__rotate_mo_q", "autodir_options_c/mcscf__socc", "autodir_options_c/mcscf__turn_on_actv", "autodir_options_c/mcscf__wfn_sym", "autodir_options_c/mints__basis", "autodir_options_c/mints__omega_erf", "autodir_options_c/module__adc", "autodir_options_c/module__ccdensity", "autodir_options_c/module__ccenergy", "autodir_options_c/module__cceom", "autodir_options_c/module__cchbar", "autodir_options_c/module__cclambda", "autodir_options_c/module__ccresponse", "autodir_options_c/module__cctransort", "autodir_options_c/module__cctriples", "autodir_options_c/module__cfour", "autodir_options_c/module__cphf", "autodir_options_c/module__dct", "autodir_options_c/module__ddx", "autodir_options_c/module__detci", "autodir_options_c/module__dfep2", "autodir_options_c/module__dfmp2", "autodir_options_c/module__dfocc", "autodir_options_c/module__dlpno", "autodir_options_c/module__dmrg", "autodir_options_c/module__efp", "autodir_options_c/module__findif", "autodir_options_c/module__fisapt", "autodir_options_c/module__fnocc", "autodir_options_c/module__gdma", "autodir_options_c/module__globals", "autodir_options_c/module__mcscf", "autodir_options_c/module__mints", "autodir_options_c/module__mrcc", "autodir_options_c/module__occ", "autodir_options_c/module__optking", "autodir_options_c/module__pcm", "autodir_options_c/module__pe", "autodir_options_c/module__psimrcc", "autodir_options_c/module__sapt", "autodir_options_c/module__scf", "autodir_options_c/module__thermo", "autodir_options_c/mrcc__e_convergence", "autodir_options_c/mrcc__ints_tolerance", "autodir_options_c/mrcc__mrcc_level", "autodir_options_c/mrcc__mrcc_method", "autodir_options_c/mrcc__mrcc_num_doublet_roots", "autodir_options_c/mrcc__mrcc_num_singlet_roots", "autodir_options_c/mrcc__mrcc_num_triplet_roots", "autodir_options_c/mrcc__mrcc_omp_num_threads", "autodir_options_c/mrcc__mrcc_restart", "autodir_options_c/occ__cachelevel", "autodir_options_c/occ__cc_maxiter", "autodir_options_c/occ__ccl_energy", "autodir_options_c/occ__cepa_os_scale", "autodir_options_c/occ__cepa_sos_scale", "autodir_options_c/occ__cepa_ss_scale", "autodir_options_c/occ__cepa_type", "autodir_options_c/occ__cutoff", "autodir_options_c/occ__diis_max_vecs", "autodir_options_c/occ__diis_min_vecs", "autodir_options_c/occ__do_diis", "autodir_options_c/occ__do_level_shift", "autodir_options_c/occ__do_scs", "autodir_options_c/occ__do_sos", "autodir_options_c/occ__e3_scale", "autodir_options_c/occ__e_convergence", "autodir_options_c/occ__ea_poles", "autodir_options_c/occ__ekt_ea", "autodir_options_c/occ__ekt_ip", "autodir_options_c/occ__ep_ea_poles", "autodir_options_c/occ__ep_ip_poles", "autodir_options_c/occ__ep_maxiter", "autodir_options_c/occ__ip_poles", "autodir_options_c/occ__level_shift", "autodir_options_c/occ__max_mograd_convergence", "autodir_options_c/occ__mo_maxiter", "autodir_options_c/occ__mo_read", "autodir_options_c/occ__mo_step_max", "autodir_options_c/occ__mo_write", "autodir_options_c/occ__mograd_damping", "autodir_options_c/occ__mp2_os_scale", "autodir_options_c/occ__mp2_sos_scale", "autodir_options_c/occ__mp2_sos_scale2", "autodir_options_c/occ__mp2_ss_scale", "autodir_options_c/occ__nat_orbs", "autodir_options_c/occ__occ_orbs_print", "autodir_options_c/occ__oeprop", "autodir_options_c/occ__opt_method", "autodir_options_c/occ__orb_opt", "autodir_options_c/occ__orb_resp_solver", "autodir_options_c/occ__orth_type", "autodir_options_c/occ__os_scale", "autodir_options_c/occ__pcg_beta_type", "autodir_options_c/occ__pcg_convergence", "autodir_options_c/occ__pcg_maxiter", "autodir_options_c/occ__r_convergence", "autodir_options_c/occ__relaxed", "autodir_options_c/occ__remp_a", "autodir_options_c/occ__rms_mograd_convergence", "autodir_options_c/occ__scs_type", "autodir_options_c/occ__sos_type", "autodir_options_c/occ__spin_scale_type", "autodir_options_c/occ__ss_scale", "autodir_options_c/occ__symmetrize", "autodir_options_c/occ__tpdm_abcd_type", "autodir_options_c/occ__wfn_type", "autodir_options_c/optking__add_auxiliary_bonds", "autodir_options_c/optking__auxiliary_bond_factor", "autodir_options_c/optking__cart_hess_read", "autodir_options_c/optking__cartesian_sym_tolerance", "autodir_options_c/optking__consecutive_backsteps", "autodir_options_c/optking__covalent_connect", "autodir_options_c/optking__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", 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"ao_basis (ccdensity)": [[1684, "term-AO_BASIS-CCDENSITY", true]], "ao_basis (ccenergy)": [[1684, "term-AO_BASIS-CCENERGY", true]], "ao_basis (cclambda)": [[1684, "term-AO_BASIS-CCLAMBDA", true]], "ao_basis (cctransort)": [[1684, "term-AO_BASIS-CCTRANSORT", true]], "ao_basis (dct)": [[1684, "term-AO_BASIS-DCT", true]], "ao_dipole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_dipole", false]], "ao_dipole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_dipole", false]], "ao_dkh() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_dkh", false]], "ao_efp_multipole_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_efp_multipole_potential", false]], "ao_elec_dip_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_elec_dip_deriv1", false]], "ao_erf_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_erf_eri", false]], "ao_eri() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_eri", false]], "ao_eri_shell() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_eri_shell", false]], "ao_f12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12", false]], "ao_f12_double_commutator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12_double_commutator", false]], "ao_f12_squared() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12_squared", false]], "ao_f12g12() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_f12g12", false]], "ao_kinetic() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_kinetic", false]], "ao_kinetic() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_kinetic", false]], "ao_metric_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_metric_deriv1", false]], "ao_multipole_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_multipole_potential", false]], "ao_multipole_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_multipole_potential", false]], "ao_multipoles() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_multipoles", false]], "ao_multipoles() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_multipoles", false]], "ao_nabla() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_nabla", false]], "ao_nabla() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_nabla", false]], "ao_oei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_oei_deriv1", false]], "ao_oei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_oei_deriv2", false]], "ao_overlap() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_overlap", false]], "ao_overlap() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_overlap", false]], "ao_overlap_half_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_overlap_half_deriv1", false]], "ao_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_potential", false]], "ao_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_potential", false]], "ao_potential_erf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_potential_erf", false]], "ao_potential_erf_complement() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_potential_erf_complement", false]], "ao_pvp() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_pvp", false]], "ao_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_quadrupole", false]], "ao_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_quadrupole", false]], "ao_tei_deriv1() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_tei_deriv1", false]], "ao_tei_deriv2() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_tei_deriv2", false]], "ao_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.ao_to_shell", false]], "ao_traceless_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.ao_traceless_quadrupole", false]], "ao_traceless_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.ao_traceless_quadrupole", false]], "aorbs() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.aOrbs", false]], "aoshellcombinationsiterator (class in psi4.core)": [[3, "psi4.core.AOShellCombinationsIterator", false]], "aotoso() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.aotoso", false]], "aotoso() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.aotoso", false]], "append() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.append", false]], "appendcharges() (psi4.core.externalpotential 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false]], "architectures": [[1761, "index-0", false]], "array_interface() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.array_interface", false]], "array_interface() (psi4.core.vector method)": [[148, "psi4.core.Vector.array_interface", false]], "array_to_matrix() (in module psi4.driver.p4util)": [[331, "psi4.driver.p4util.array_to_matrix", false]], "array_to_matrix() (in module psi4.driver.p4util.numpy_helper)": [[1777, "psi4.driver.p4util.numpy_helper.array_to_matrix", false]], "array_variable() (in module psi4.core)": [[151, "psi4.core.array_variable", false]], "array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.array_variable", false]], "array_variables() (in module psi4.core)": [[152, "psi4.core.array_variables", false]], "array_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.array_variables", false]], "arrays() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.arrays", false]], "ascending 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"auxiliary_bond_factor (optking)": [[1684, "term-AUXILIARY_BOND_FACTOR-OPTKING", true]], "available": [[1732, "index-4", false]], "available by element": [[1711, "index-0", false]], "available by family": [[1710, "index-0", false], [1713, "index-0", false]], "available functionals": [[1738, "index-0", false]], "avg_states (detci)": [[1684, "term-AVG_STATES-DETCI", true]], "avg_weights (detci)": [[1684, "term-AVG_WEIGHTS-DETCI", true]], "axpby() (psi4.core.vector method)": [[148, "psi4.core.Vector.axpby", false]], "axpy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.axpy", false]], "axpy() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.axpy", false]], "axpy() (psi4.core.vector method)": [[148, "psi4.core.Vector.axpy", false]], "axpy_matrix() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.axpy_matrix", false]], "axpy_matrix() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.axpy_matrix", false]], "azimuth (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.azimuth", false]], "b787() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.B787", false]], "b_ras3_max (detci)": [[1684, "term-B_RAS3_MAX-DETCI", true]], "back_transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.back_transform", false]], "backtransform_density() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_density", false]], "backtransform_tpdm_restricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_restricted", false]], "backtransform_tpdm_unrestricted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.backtransform_tpdm_unrestricted", false]], "banner() (in module psi4.driver)": [[282, "psi4.driver.banner", false]], "banner() (in module psi4.driver.p4util)": [[332, "psi4.driver.p4util.banner", false]], "basic-keywords": [[1735, "index-2", false], [1751, "index-2", false]], "basis (dfmp2)": [[1684, "term-BASIS-DFMP2", true]], "basis (mints)": [[1684, "term-BASIS-MINTS", true]], "basis (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis", false]], "basis (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis", false]], "basis (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.basis", false]], "basis (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.basis", false]], "basis (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.basis", false]], "basis (sapt)": [[1684, "term-BASIS-SAPT", true]], "basis (scf)": [[1684, "term-BASIS-SCF", true]], "basis set": [[1710, "index-0", false], [1710, "index-1", false], [1710, "index-2", false], [1710, "index-3", false], [1711, "index-0", false], [1712, "index-0", false], [1713, "index-0", false], [1720, "index-0", false], [1720, "index-3", false]], "basis() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.basis", false]], "basis() (psi4.core.vbase method)": [[147, "psi4.core.VBase.basis", false]], "basis1 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis1", false]], "basis1 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis1", false]], "basis2 (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.basis2", false]], "basis2 (psi4.core.onebodysoint attribute)": [[113, "psi4.core.OneBodySOInt.basis2", false]], "basis_guess (scf)": [[1684, "term-BASIS_GUESS-SCF", true]], "basis_helper() (in module psi4.driver)": [[283, "psi4.driver.basis_helper", false]], "basis_helper() (in module psi4.driver.p4util)": [[333, "psi4.driver.p4util.basis_helper", false]], "basis_on_atom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.basis_on_atom", false]], "basis_projection() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basis_projection", false]], "basis_relativistic (globals)": [[1684, "term-BASIS_RELATIVISTIC-GLOBALS", true]], "basis_values() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.basis_values", false]], "basisextents (class in psi4.core)": [[6, "psi4.core.BasisExtents", false]], "basisfunctions (class in psi4.core)": [[7, "psi4.core.BasisFunctions", false]], "basisset (class in psi4.core)": [[8, "psi4.core.BasisSet", false]], "basisset() (psi4.core.cubeproperties method)": [[21, "psi4.core.CubeProperties.basisset", false]], "basisset() (psi4.core.jk method)": [[92, "psi4.core.JK.basisset", false]], "basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.basisset", false]], "basisset() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.basisset", false]], "basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.basisset", false]], "bbb (t) correction energy": [[1756, "psivar-BBB-T-CORRECTION-ENERGY", false]], "bccd_maxiter (ccenergy)": [[1684, "term-BCCD_MAXITER-CCENERGY", true]], 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false]], "ccname root m -> root n einstein b (len)": [[1756, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN", false]], "ccname root m -> root n einstein b (len) - h transition": [[1756, "psivar-CCname-ROOT-m-ROOT-n-EINSTEIN-B-LEN-h-TRANSITION", false]], "ccname root m -> root n oscillator strength (len)": [[1756, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "ccname root m -> root n oscillator strength (len) - h transition": [[1756, "psivar-CCname-ROOT-m-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (len)": [[1756, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "ccname root m -> root n rotatory strength (len) - h transition": [[1756, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "ccname root m -> root n rotatory strength (vel)": [[1756, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL", false]], "ccname root m -> root n rotatory strength (vel) - h transition": [[1756, "psivar-CCname-ROOT-m-ROOT-n-ROTATORY-STRENGTH-VEL-h-TRANSITION", false]], "ccname root n (h) correlation energy": [[1756, "psivar-CCname-ROOT-n-h-CORRELATION-ENERGY", false]], "ccname root n (h) dipole": [[1756, "psivar-CCname-ROOT-n-h-DIPOLE", false]], "ccname root n (h) quadrupole": [[1756, "psivar-CCname-ROOT-n-h-QUADRUPOLE", false]], "ccname root n (h) total energy": [[1756, "psivar-CCname-ROOT-n-h-TOTAL-ENERGY", false]], "ccname root n (in h) correlation energy": [[1756, "psivar-CCname-ROOT-n-IN-h-CORRELATION-ENERGY", false]], "ccname root n (in h) dipole": [[1756, "psivar-CCname-ROOT-n-IN-h-DIPOLE", false]], "ccname root n (in h) quadrupole": [[1756, "psivar-CCname-ROOT-n-IN-h-QUADRUPOLE", false]], "ccname root n (in h) total energy": [[1756, "psivar-CCname-ROOT-n-IN-h-TOTAL-ENERGY", false]], "ccname root n correlation energy": [[1756, "psivar-CCname-ROOT-n-CORRELATION-ENERGY", false]], "ccname root n correlation energy - h transition": [[1756, "psivar-CCname-ROOT-n-CORRELATION-ENERGY-h-TRANSITION", false]], "ccname root n dipole": [[1756, "psivar-CCname-ROOT-n-DIPOLE", false]], "ccname root n dipole - h transition": [[1756, "psivar-CCname-ROOT-n-DIPOLE-h-TRANSITION", false]], "ccname root n quadrupole": [[1756, "psivar-CCname-ROOT-n-QUADRUPOLE", false]], "ccname root n quadrupole - h transition": [[1756, "psivar-CCname-ROOT-n-QUADRUPOLE-h-TRANSITION", false]], "ccname root n total energy": [[1756, "psivar-CCname-ROOT-n-TOTAL-ENERGY", false]], "ccname root n total energy - h transition": [[1756, "psivar-CCname-ROOT-n-TOTAL-ENERGY-h-TRANSITION", false]], "ccnn correlation energy": [[1756, "psivar-CCnn-CORRELATION-ENERGY", false]], "ccnn total energy": [[1756, "psivar-CCnn-TOTAL-ENERGY", false]], "ccresponse() (in module psi4.core)": [[165, "psi4.core.ccresponse", false]], "ccsd alpha-alpha pair energies": [[1756, "psivar-CCSD-ALPHA-ALPHA-PAIR-ENERGIES", false]], "ccsd alpha-beta pair energies": [[1756, "psivar-CCSD-ALPHA-BETA-PAIR-ENERGIES", false]], "ccsd correlation energy": [[1756, "psivar-CCSD-CORRELATION-ENERGY", false]], "ccsd dipole polarizability @ xnm": [[1756, "psivar-CCSD-DIPOLE-POLARIZABILITY-xNM", false]], "ccsd dipole polarizability tensor @ xnm": [[1756, "psivar-CCSD-DIPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd doubles energy": [[1756, "psivar-CCSD-DOUBLES-ENERGY", false]], "ccsd iterations": [[1756, "psivar-CCSD-ITERATIONS", false]], "ccsd opposite-spin correlation energy": [[1756, "psivar-CCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "ccsd quadrupole polarizability @ xnm": [[1756, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-xNM", false]], "ccsd quadrupole polarizability tensor @ xnm": [[1756, "psivar-CCSD-QUADRUPOLE-POLARIZABILITY-TENSOR-xNM", false]], "ccsd rotation (len) origin-dependence @ xnm": [[1756, "psivar-CCSD-ROTATION-LEN-ORIGIN-DEPENDENCE-xNM", false]], "ccsd same-spin correlation energy": [[1756, "psivar-CCSD-SAME-SPIN-CORRELATION-ENERGY", false]], "ccsd singles energy": [[1756, "psivar-CCSD-SINGLES-ENERGY", false]], "ccsd singlet pair energies": [[1756, "psivar-CCSD-SINGLET-PAIR-ENERGIES", false]], "ccsd specific rotation (len) @ xnm": [[1756, "psivar-CCSD-SPECIFIC-ROTATION-LEN-xNM", false]], "ccsd specific rotation (mvg) @ xnm": [[1756, "psivar-CCSD-SPECIFIC-ROTATION-MVG-xNM", false]], "ccsd specific rotation (vel) @ xnm": [[1756, "psivar-CCSD-SPECIFIC-ROTATION-VEL-xNM", false]], "ccsd total energy": [[1756, "psivar-CCSD-TOTAL-ENERGY", false]], "ccsd triplet pair energies": [[1756, "psivar-CCSD-TRIPLET-PAIR-ENERGIES", false]], "ccsd(at) correlation energy": [[1756, "psivar-CCSD-AT-CORRELATION-ENERGY", false]], "ccsd(at) total energy": [[1756, "psivar-CCSD-AT-TOTAL-ENERGY", false]], "ccsd(t)": [[1751, "index-1", false]], "ccsd(t) correlation energy": [[1756, "psivar-CCSD-T-CORRELATION-ENERGY", false]], "ccsd(t) total energy": [[1756, "psivar-CCSD-T-TOTAL-ENERGY", false]], "ccsd(t)_l correlation energy": [[1756, 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false]], "ccsdtq-3 total energy": [[1756, "psivar-CCSDTQ-3-TOTAL-ENERGY", false]], "cctransort() (in module psi4.core)": [[166, "psi4.core.cctransort", false]], "cctriples() (in module psi4.core)": [[167, "psi4.core.cctriples", false]], "ccwavefunction (class in psi4.core)": [[11, "psi4.core.CCWavefunction", false]], "cdsalc (class in psi4.core)": [[15, "psi4.core.CdSalc", false]], "cdsalclist (class in psi4.core)": [[16, "psi4.core.CdSalcList", false]], "cdsalcs() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.cdsalcs", false]], "center_of_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.center_of_mass", false]], "cepa": [[1751, "index-1", false]], "cepa(0) correlation energy": [[1756, "psivar-CEPA-0-CORRELATION-ENERGY", false]], "cepa(0) dipole": [[1756, "psivar-CEPA-0-DIPOLE", false]], "cepa(0) doubles energy": [[1756, "psivar-CEPA-0-DOUBLES-ENERGY", false]], "cepa(0) opposite-spin correlation energy": [[1756, 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energy": [[1756, "psivar-CEPA-2-DOUBLES-ENERGY", false]], "cepa(2) opposite-spin correlation energy": [[1756, "psivar-CEPA-2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(2) same-spin correlation energy": [[1756, "psivar-CEPA-2-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(2) singles energy": [[1756, "psivar-CEPA-2-SINGLES-ENERGY", false]], "cepa(2) total energy": [[1756, "psivar-CEPA-2-TOTAL-ENERGY", false]], "cepa(3) correlation energy": [[1756, "psivar-CEPA-3-CORRELATION-ENERGY", false]], "cepa(3) doubles energy": [[1756, "psivar-CEPA-3-DOUBLES-ENERGY", false]], "cepa(3) opposite-spin correlation energy": [[1756, "psivar-CEPA-3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "cepa(3) same-spin correlation energy": [[1756, "psivar-CEPA-3-SAME-SPIN-CORRELATION-ENERGY", false]], "cepa(3) singles energy": [[1756, "psivar-CEPA-3-SINGLES-ENERGY", false]], "cepa(3) total energy": [[1756, "psivar-CEPA-3-TOTAL-ENERGY", false]], "cepa_level (fnocc)": [[1684, "term-CEPA_LEVEL-FNOCC", true]], "cepa_no_singles (fnocc)": [[1684, "term-CEPA_NO_SINGLES-FNOCC", true]], "cepa_os_scale (occ)": [[1684, "term-CEPA_OS_SCALE-OCC", true]], "cepa_sos_scale (occ)": [[1684, "term-CEPA_SOS_SCALE-OCC", true]], "cepa_ss_scale (occ)": [[1684, "term-CEPA_SS_SCALE-OCC", true]], "cepa_type (occ)": [[1684, "term-CEPA_TYPE-OCC", true]], "cfour": [[1723, "index-0", false]], "cfour error code": [[1756, "psivar-CFOUR-ERROR-CODE", false]], "cfour_abcdtype (cfour)": [[1684, "term-CFOUR_ABCDTYPE-CFOUR", true]], "cfour_active_orbi (cfour)": [[1684, "term-CFOUR_ACTIVE_ORBI-CFOUR", true]], "cfour_anh_algorithm (cfour)": [[1684, "term-CFOUR_ANH_ALGORITHM-CFOUR", true]], "cfour_anh_derivatives (cfour)": [[1684, "term-CFOUR_ANH_DERIVATIVES-CFOUR", true]], "cfour_anh_stepsize (cfour)": [[1684, "term-CFOUR_ANH_STEPSIZE-CFOUR", true]], "cfour_anh_symmetry (cfour)": [[1684, "term-CFOUR_ANH_SYMMETRY-CFOUR", true]], "cfour_anharmonic (cfour)": [[1684, "term-CFOUR_ANHARMONIC-CFOUR", true]], "cfour_ao_ladders (cfour)": [[1684, "term-CFOUR_AO_LADDERS-CFOUR", true]], "cfour_av_scf (cfour)": [[1684, "term-CFOUR_AV_SCF-CFOUR", true]], "cfour_basis (cfour)": [[1684, "term-CFOUR_BASIS-CFOUR", true]], "cfour_bruck_conv (cfour)": [[1684, "term-CFOUR_BRUCK_CONV-CFOUR", true]], "cfour_brueckner (cfour)": [[1684, "term-CFOUR_BRUECKNER-CFOUR", true]], "cfour_cache_recs (cfour)": [[1684, "term-CFOUR_CACHE_RECS-CFOUR", true]], "cfour_calc_level (cfour)": [[1684, "term-CFOUR_CALC_LEVEL-CFOUR", true]], "cfour_cc_conv (cfour)": [[1684, "term-CFOUR_CC_CONV-CFOUR", true]], "cfour_cc_exporder (cfour)": [[1684, "term-CFOUR_CC_EXPORDER-CFOUR", true]], "cfour_cc_extrapolation (cfour)": [[1684, "term-CFOUR_CC_EXTRAPOLATION-CFOUR", true]], "cfour_cc_maxcyc (cfour)": [[1684, "term-CFOUR_CC_MAXCYC-CFOUR", true]], "cfour_cc_program (cfour)": [[1684, "term-CFOUR_CC_PROGRAM-CFOUR", true]], "cfour_charge (cfour)": [[1684, "term-CFOUR_CHARGE-CFOUR", true]], "cfour_cis_conv (cfour)": [[1684, "term-CFOUR_CIS_CONV-CFOUR", true]], "cfour_continuum (cfour)": [[1684, "term-CFOUR_CONTINUUM-CFOUR", true]], "cfour_contraction (cfour)": [[1684, "term-CFOUR_CONTRACTION-CFOUR", true]], "cfour_convergence (cfour)": [[1684, "term-CFOUR_CONVERGENCE-CFOUR", true]], "cfour_coordinates (cfour)": [[1684, "term-CFOUR_COORDINATES-CFOUR", true]], "cfour_core_orbitals (cfour)": [[1684, "term-CFOUR_CORE_ORBITALS-CFOUR", true]], "cfour_cphf_conver (cfour)": [[1684, "term-CFOUR_CPHF_CONVER-CFOUR", true]], "cfour_cphf_maxcyc (cfour)": [[1684, "term-CFOUR_CPHF_MAXCYC-CFOUR", true]], "cfour_curvilinear (cfour)": [[1684, "term-CFOUR_CURVILINEAR-CFOUR", true]], "cfour_dboc (cfour)": [[1684, "term-CFOUR_DBOC-CFOUR", true]], "cfour_dct (cfour)": [[1684, "term-CFOUR_DCT-CFOUR", true]], "cfour_deriv_level (cfour)": [[1684, "term-CFOUR_DERIV_LEVEL-CFOUR", true]], "cfour_diff_type (cfour)": [[1684, "term-CFOUR_DIFF_TYPE-CFOUR", true]], "cfour_dropmo (cfour)": [[1684, "term-CFOUR_DROPMO-CFOUR", true]], "cfour_ecp (cfour)": [[1684, 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true]], "cfour_fd_irreps (cfour)": [[1684, "term-CFOUR_FD_IRREPS-CFOUR", true]], "cfour_fd_project (cfour)": [[1684, "term-CFOUR_FD_PROJECT-CFOUR", true]], "cfour_fd_stepsize (cfour)": [[1684, "term-CFOUR_FD_STEPSIZE-CFOUR", true]], "cfour_fd_usegroup (cfour)": [[1684, "term-CFOUR_FD_USEGROUP-CFOUR", true]], "cfour_file_recsiz (cfour)": [[1684, "term-CFOUR_FILE_RECSIZ-CFOUR", true]], "cfour_file_stripe (cfour)": [[1684, "term-CFOUR_FILE_STRIPE-CFOUR", true]], "cfour_finite_perturbation (cfour)": [[1684, "term-CFOUR_FINITE_PERTURBATION-CFOUR", true]], "cfour_fock (cfour)": [[1684, "term-CFOUR_FOCK-CFOUR", true]], "cfour_freq_algorithm (cfour)": [[1684, "term-CFOUR_FREQ_ALGORITHM-CFOUR", true]], "cfour_frozen_core (cfour)": [[1684, "term-CFOUR_FROZEN_CORE-CFOUR", true]], "cfour_frozen_virt (cfour)": [[1684, "term-CFOUR_FROZEN_VIRT-CFOUR", true]], "cfour_gamma_abcd (cfour)": [[1684, "term-CFOUR_GAMMA_ABCD-CFOUR", true]], "cfour_genbas_1 (cfour)": [[1684, "term-CFOUR_GENBAS_1-CFOUR", true]], "cfour_genbas_2 (cfour)": [[1684, "term-CFOUR_GENBAS_2-CFOUR", true]], "cfour_genbas_3 (cfour)": [[1684, "term-CFOUR_GENBAS_3-CFOUR", true]], "cfour_genbas_4 (cfour)": [[1684, "term-CFOUR_GENBAS_4-CFOUR", true]], "cfour_geo_conv (cfour)": [[1684, "term-CFOUR_GEO_CONV-CFOUR", true]], "cfour_geo_maxcyc (cfour)": [[1684, "term-CFOUR_GEO_MAXCYC-CFOUR", true]], "cfour_geo_maxstep (cfour)": [[1684, "term-CFOUR_GEO_MAXSTEP-CFOUR", true]], "cfour_geo_method (cfour)": [[1684, "term-CFOUR_GEO_METHOD-CFOUR", true]], "cfour_giao (cfour)": [[1684, "term-CFOUR_GIAO-CFOUR", true]], "cfour_grid (cfour)": [[1684, "term-CFOUR_GRID-CFOUR", true]], "cfour_guess (cfour)": [[1684, "term-CFOUR_GUESS-CFOUR", true]], "cfour_hbar (cfour)": [[1684, "term-CFOUR_HBAR-CFOUR", true]], "cfour_hfstability (cfour)": [[1684, "term-CFOUR_HFSTABILITY-CFOUR", true]], "cfour_incore (cfour)": [[1684, "term-CFOUR_INCORE-CFOUR", true]], "cfour_input_mrcc (cfour)": [[1684, "term-CFOUR_INPUT_MRCC-CFOUR", true]], "cfour_integrals (cfour)": [[1684, "term-CFOUR_INTEGRALS-CFOUR", true]], "cfour_joda_print (cfour)": [[1684, "term-CFOUR_JODA_PRINT-CFOUR", true]], "cfour_lineq_conv (cfour)": [[1684, "term-CFOUR_LINEQ_CONV-CFOUR", true]], "cfour_lineq_maxcy (cfour)": [[1684, "term-CFOUR_LINEQ_MAXCY-CFOUR", true]], "cfour_lineq_type (cfour)": [[1684, "term-CFOUR_LINEQ_TYPE-CFOUR", true]], "cfour_lock_orbocc (cfour)": [[1684, "term-CFOUR_LOCK_ORBOCC-CFOUR", true]], "cfour_maxstep (cfour)": [[1684, "term-CFOUR_MAXSTEP-CFOUR", true]], "cfour_mem_unit (cfour)": [[1684, "term-CFOUR_MEM_UNIT-CFOUR", true]], "cfour_memory_size (cfour)": [[1684, "term-CFOUR_MEMORY_SIZE-CFOUR", true]], "cfour_method (cfour)": [[1684, "term-CFOUR_METHOD-CFOUR", true]], "cfour_mrcc (cfour)": [[1684, "term-CFOUR_MRCC-CFOUR", true]], "cfour_multiplicity (cfour)": [[1684, "term-CFOUR_MULTIPLICITY-CFOUR", true]], "cfour_nacoupling (cfour)": [[1684, "term-CFOUR_NACOUPLING-CFOUR", true]], "cfour_negeval (cfour)": [[1684, 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true]], "cfour_scf_conv (cfour)": [[1684, "term-CFOUR_SCF_CONV-CFOUR", true]], "cfour_scf_damping (cfour)": [[1684, "term-CFOUR_SCF_DAMPING-CFOUR", true]], "cfour_scf_exporder (cfour)": [[1684, "term-CFOUR_SCF_EXPORDER-CFOUR", true]], "cfour_scf_expstart (cfour)": [[1684, "term-CFOUR_SCF_EXPSTART-CFOUR", true]], "cfour_scf_extrapolation (cfour)": [[1684, "term-CFOUR_SCF_EXTRAPOLATION-CFOUR", true]], "cfour_scf_maxcyc (cfour)": [[1684, "term-CFOUR_SCF_MAXCYC-CFOUR", true]], "cfour_sd_field (cfour)": [[1684, "term-CFOUR_SD_FIELD-CFOUR", true]], "cfour_spherical (cfour)": [[1684, "term-CFOUR_SPHERICAL-CFOUR", true]], "cfour_spin_flip (cfour)": [[1684, "term-CFOUR_SPIN_FLIP-CFOUR", true]], "cfour_spin_orbit (cfour)": [[1684, "term-CFOUR_SPIN_ORBIT-CFOUR", true]], "cfour_spin_scal (cfour)": [[1684, "term-CFOUR_SPIN_SCAL-CFOUR", true]], "cfour_spinrotation (cfour)": [[1684, "term-CFOUR_SPINROTATION-CFOUR", true]], "cfour_subgroup (cfour)": [[1684, "term-CFOUR_SUBGROUP-CFOUR", true]], 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"psi4.core.HF.check_phases", false]], "chemps2": [[1726, "index-0", false]], "cholesky (dfocc)": [[1684, "term-CHOLESKY-DFOCC", true]], "cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.cholesky_factorize", false]], "cholesky_tolerance (dfocc)": [[1684, "term-CHOLESKY_TOLERANCE-DFOCC", true]], "cholesky_tolerance (fnocc)": [[1684, "term-CHOLESKY_TOLERANCE-FNOCC", true]], "cholesky_tolerance (scf)": [[1684, "term-CHOLESKY_TOLERANCE-SCF", true]], "ci": [[1735, "index-0", false], [1735, "index-1", false], [1735, "index-2", false], [1735, "index-3", false], [1735, "index-4", false], [1735, "index-5", false], [1769, "index-2", false]], "ci correlation energy": [[1756, "psivar-CI-CORRELATION-ENERGY", false]], "ci dipole": [[1756, "psivar-CI-DIPOLE", false]], "ci quadrupole": [[1756, "psivar-CI-QUADRUPOLE", false]], "ci root n -> root m dipole": [[1756, "psivar-CI-ROOT-n-ROOT-m-DIPOLE", false]], "ci root n -> root m quadrupole": [[1756, 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"converged (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.converged", false]], "convergence criteria": [[1782, "index-3", false]], "convergenceerror": [[266, "psi4.driver.ConvergenceError", false]], "copy() (psi4.core.civector method)": [[12, "psi4.core.CIVector.copy", false]], "copy() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.copy", false]], "copy() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy", false]], "copy() (psi4.core.vector method)": [[148, "psi4.core.Vector.copy", false]], "copy_file_from_scratch() (in module psi4.driver)": [[288, "psi4.driver.copy_file_from_scratch", false]], "copy_file_from_scratch() (in module psi4.driver.p4util)": [[339, "psi4.driver.p4util.copy_file_from_scratch", false]], "copy_file_to_scratch() (in module psi4.driver)": [[289, "psi4.driver.copy_file_to_scratch", false]], "copy_file_to_scratch() (in module psi4.driver.p4util)": [[340, "psi4.driver.p4util.copy_file_to_scratch", false]], "copy_lower_to_upper() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy_lower_to_upper", false]], "copy_upper_to_lower() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.copy_upper_to_lower", false]], "core_hamiltonian_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.core_hamiltonian_grad", false]], "corl_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.corl_xtpl_helgaker_2", false]], "corr_ansatz (psimrcc)": [[1684, "term-CORR_ANSATZ-PSIMRCC", true]], "corr_ccsd_t (psimrcc)": [[1684, "term-CORR_CCSD_T-PSIMRCC", true]], "corr_charge (psimrcc)": [[1684, "term-CORR_CHARGE-PSIMRCC", true]], "corr_multp (psimrcc)": [[1684, "term-CORR_MULTP-PSIMRCC", true]], "corr_wfn (psimrcc)": [[1684, "term-CORR_WFN-PSIMRCC", true]], "correlated (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Correlated", false]], "correlationfactor (class in psi4.core)": [[19, "psi4.core.CorrelationFactor", false]], "correlationtable (class in psi4.core)": [[20, "psi4.core.CorrelationTable", false]], "cosmo": [[1734, "index-0", false]], "cosx_basis_tolerance (scf)": [[1684, "term-COSX_BASIS_TOLERANCE-SCF", true]], "cosx_density_tolerance (scf)": [[1684, "term-COSX_DENSITY_TOLERANCE-SCF", true]], "cosx_ints_tolerance (scf)": [[1684, "term-COSX_INTS_TOLERANCE-SCF", true]], "cosx_maxiter_final (scf)": [[1684, "term-COSX_MAXITER_FINAL-SCF", true]], "cosx_overlap_fitting (scf)": [[1684, "term-COSX_OVERLAP_FITTING-SCF", true]], "cosx_pruning_scheme (scf)": [[1684, "term-COSX_PRUNING_SCHEME-SCF", true]], "cosx_radial_points_final (scf)": [[1684, "term-COSX_RADIAL_POINTS_FINAL-SCF", true]], "cosx_radial_points_initial (scf)": [[1684, "term-COSX_RADIAL_POINTS_INITIAL-SCF", true]], "cosx_spherical_points_final (scf)": [[1684, "term-COSX_SPHERICAL_POINTS_FINAL-SCF", true]], "cosx_spherical_points_initial (scf)": [[1684, "term-COSX_SPHERICAL_POINTS_INITIAL-SCF", true]], "cotton-ordering": [[1813, "index-6", false]], "coulomb() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.coulomb", false]], "count() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.count", false]], "counterpoise correction": [[1774, "index-1", false]], "coupled_induction (sapt)": [[1684, "term-COUPLED_INDUCTION-SAPT", true]], "coupling (psimrcc)": [[1684, "term-COUPLING-PSIMRCC", true]], "coupling_terms (psimrcc)": [[1684, "term-COUPLING_TERMS-PSIMRCC", true]], "covalent_connect (optking)": [[1684, "term-COVALENT_CONNECT-OPTKING", true]], "cp": [[1774, "index-1", false]], "cp (psi4.driver.driver_nbody.bsseenum attribute)": [[1774, "psi4.driver.driver_nbody.BsseEnum.cp", false]], "cp-corrected 2-body interaction energy": [[1756, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", false]], "cphf_converged() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_converged", false]], "cphf_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_Hx", false]], "cphf_mem_safety_factor (cphf)": [[1684, "term-CPHF_MEM_SAFETY_FACTOR-CPHF", true]], "cphf_r_convergence (fisapt)": [[1684, "term-CPHF_R_CONVERGENCE-FISAPT", true]], "cphf_r_convergence (sapt)": [[1684, "term-CPHF_R_CONVERGENCE-SAPT", true]], "cphf_solve() (psi4.core.hf method)": [[84, "psi4.core.HF.cphf_solve", false]], "cphf_tasks (cphf)": [[1684, "term-CPHF_TASKS-CPHF", true]], "cppe": [[1729, "index-0", false]], "crashclean() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.crashclean", false]], "cray_add_rpath": [[1718, "envvar-CRAY_ADD_RPATH", false]], "craype_link_type": [[1718, "envvar-CRAYPE_LINK_TYPE", false]], "create_matrices() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.create_matrices", false]], "create_matrices() (psi4.core.multipolesymmetry method)": [[108, "psi4.core.MultipoleSymmetry.create_matrices", false]], "create_matrix() (psi4.core.matrixfactory method)": [[101, "psi4.core.MatrixFactory.create_matrix", false]], "create_plugin() (in module psi4.driver)": [[290, "psi4.driver.create_plugin", false]], "create_psi4_string_from_molecule() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.create_psi4_string_from_molecule", false]], "cross() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.cross", false]], "ct() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.Ct", false]], "cube": [[1730, "index-0", false]], "cubeprop": [[1730, "index-0", false]], "cubeprop() (in module psi4.driver)": [[291, "psi4.driver.cubeprop", false]], "cubeprop() (in module psi4.driver.p4util)": [[341, "psi4.driver.p4util.cubeprop", false]], "cubeprop_basis_functions (globals)": [[1684, "term-CUBEPROP_BASIS_FUNCTIONS-GLOBALS", true]], "cubeprop_filepath (globals)": [[1684, "term-CUBEPROP_FILEPATH-GLOBALS", true]], "cubeprop_isocontour_threshold (globals)": [[1684, "term-CUBEPROP_ISOCONTOUR_THRESHOLD-GLOBALS", true]], "cubeprop_orbitals (globals)": [[1684, "term-CUBEPROP_ORBITALS-GLOBALS", true]], "cubeprop_tasks (globals)": [[1684, "term-CUBEPROP_TASKS-GLOBALS", true]], "cubeproperties (class in psi4.core)": [[21, "psi4.core.CubeProperties", false]], "cubic_basis_tolerance (fisapt)": [[1684, "term-CUBIC_BASIS_TOLERANCE-FISAPT", true]], "cubic_basis_tolerance (globals)": [[1684, "term-CUBIC_BASIS_TOLERANCE-GLOBALS", true]], "cubic_block_max_points (fisapt)": [[1684, "term-CUBIC_BLOCK_MAX_POINTS-FISAPT", true]], "cubic_block_max_points (globals)": [[1684, "term-CUBIC_BLOCK_MAX_POINTS-GLOBALS", true]], "cubic_grid_overage (fisapt)": [[1684, "term-CUBIC_GRID_OVERAGE-FISAPT", true]], "cubic_grid_overage (globals)": [[1684, "term-CUBIC_GRID_OVERAGE-GLOBALS", true]], "cubic_grid_spacing (fisapt)": [[1684, "term-CUBIC_GRID_SPACING-FISAPT", true]], "cubic_grid_spacing (globals)": [[1684, "term-CUBIC_GRID_SPACING-GLOBALS", true]], "cuhf (class in psi4.core)": [[14, "psi4.core.CUHF", false]], "current correlation energy": [[1756, "psivar-CURRENT-CORRELATION-ENERGY", false]], "current dipole": [[1756, "psivar-CURRENT-DIPOLE", false]], "current dipole gradient": [[1756, "psivar-CURRENT-DIPOLE-GRADIENT", false]], "current energy": [[1756, "psivar-CURRENT-ENERGY", false]], "current gradient": [[1756, "psivar-CURRENT-GRADIENT", false]], "current hessian": [[1756, "psivar-CURRENT-HESSIAN", false]], "current reference energy": [[1756, "psivar-CURRENT-REFERENCE-ENERGY", false]], "current_afock() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_AFock", false]], "current_ci_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_ci_energy", false]], "current_docc_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_docc_energy", false]], "current_ifock() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_IFock", false]], "current_total_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.current_total_energy", false]], "custom scs-lccd correlation energy": [[1756, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", false]], "custom scs-lccd total energy": [[1756, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", false]], "custom scs-mp2 correlation energy": [[1756, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", false]], "custom scs-mp2 total energy": [[1756, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", false]], "custom scs-mp2.5 correlation energy": [[1756, "psivar-CUSTOM-SCS-MP2.5-CORRELATION-ENERGY", false]], "custom scs-mp2.5 total energy": [[1756, "psivar-CUSTOM-SCS-MP2.5-TOTAL-ENERGY", false]], "custom scs-mp3 correlation energy": [[1756, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", false]], "custom scs-mp3 total energy": [[1756, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", false]], "custom scs-olccd correlation energy": [[1756, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", false]], "custom scs-olccd total energy": [[1756, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", false]], "custom scs-omp2 correlation energy": [[1756, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", false]], "custom scs-omp2 total energy": [[1756, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", false]], "custom scs-omp2.5 correlation energy": [[1756, "psivar-CUSTOM-SCS-OMP2.5-CORRELATION-ENERGY", false]], "custom scs-omp2.5 total energy": [[1756, "psivar-CUSTOM-SCS-OMP2.5-TOTAL-ENERGY", false]], "custom scs-omp3 correlation energy": [[1756, "psivar-CUSTOM-SCS-OMP3-CORRELATION-ENERGY", false]], "custom scs-omp3 total energy": [[1756, "psivar-CUSTOM-SCS-OMP3-TOTAL-ENERGY", false]], "custom scs-oremp2 correlation energy": [[1756, "psivar-CUSTOM-SCS-OREMP2-CORRELATION-ENERGY", false]], "custom scs-oremp2 total energy": [[1756, "psivar-CUSTOM-SCS-OREMP2-TOTAL-ENERGY", false]], "custom scs-remp2 correlation energy": [[1756, "psivar-CUSTOM-SCS-REMP2-CORRELATION-ENERGY", false]], "custom scs-remp2 total energy": [[1756, "psivar-CUSTOM-SCS-REMP2-TOTAL-ENERGY", false]], "cutoff (dfocc)": [[1684, "term-CUTOFF-DFOCC", true]], "cutoff (occ)": [[1684, "term-CUTOFF-OCC", true]], "cutoff_amps_print (adc)": [[1684, "term-CUTOFF_AMPS_PRINT-ADC", true]], "d() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.d", false]], "d() (psi4.core.jk method)": [[92, "psi4.core.JK.D", false]], "d_conv (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.d_conv", false]], "d_convergence (mcscf)": [[1684, "term-D_CONVERGENCE-MCSCF", true]], "d_convergence (scf)": [[1684, "term-D_CONVERGENCE-SCF", true]], "d_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.D_vector", false]], "da() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Da", false]], "da() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da", false]], "da_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Da_subset", false]], "damp_induced (pe)": [[1684, "term-DAMP_INDUCED-PE", true]], "damp_multipole (pe)": [[1684, "term-DAMP_MULTIPOLE-PE", true]], "damping": [[1818, "index-2", false]], "damping_convergence (scf)": [[1684, "term-DAMPING_CONVERGENCE-SCF", true]], "damping_factor_induced (pe)": [[1684, "term-DAMPING_FACTOR_INDUCED-PE", true]], "damping_factor_multipole (pe)": [[1684, "term-DAMPING_FACTOR_MULTIPOLE-PE", true]], "damping_percentage (dct)": [[1684, "term-DAMPING_PERCENTAGE-DCT", true]], "damping_percentage (psimrcc)": [[1684, "term-DAMPING_PERCENTAGE-PSIMRCC", true]], "damping_percentage (scf)": [[1684, "term-DAMPING_PERCENTAGE-SCF", true]], "damping_update() (psi4.core.hf method)": [[84, "psi4.core.HF.damping_update", false]], "dao() (psi4.core.vbase method)": [[147, "psi4.core.VBase.Dao", false]], "dashcoeff_supplement (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashcoeff_supplement", false]], "dashcoeff_supplement (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashcoeff_supplement", false]], "dashlevel (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel", false]], "dashlevel (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel", false]], "dashlevel_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashlevel_citation", false]], "dashlevel_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashlevel_citation", false]], "dashparams (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams", false]], "dashparams (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams", false]], "dashparams_citation (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.dashparams_citation", false]], "dashparams_citation (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.dashparams_citation", false]], "dasum() (in module psi4.core)": [[22, "psi4.core.DASUM", false]], "database()": [[1732, "index-0", false], [1732, "index-3", false], [1732, "index-4", false], [1815, "index-0", false]], "database() (in module psi4.driver.wrapper_database)": [[1732, "psi4.driver.wrapper_database.database", false]], "davidson_solver() (in module psi4.driver.p4util)": [[342, "psi4.driver.p4util.davidson_solver", false]], "daxpy() (in module psi4.core)": [[23, "psi4.core.DAXPY", false]], "db()": [[1732, "index-0", false]], "db() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.Db", false]], "db() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db", false]], "db_name database mean absolute deviation": [[1756, "psivar-db_name-DATABASE-MEAN-ABSOLUTE-DEVIATION", false]], "db_name database mean signed deviation": [[1756, "psivar-db_name-DATABASE-MEAN-SIGNED-DEVIATION", false]], "db_name database root-mean-square deviation": [[1756, "psivar-db_name-DATABASE-ROOT-MEAN-SQUARE-DEVIATION", false]], "db_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Db_subset", false]], "dcalc() (psi4.core.civector method)": [[12, "psi4.core.CIVector.dcalc", false]], "dcopy() (in module psi4.core)": [[24, "psi4.core.DCOPY", false]], "dct": [[1733, "index-0", false]], "dct lambda energy": [[1756, "psivar-DCT-LAMBDA-ENERGY", false]], "dct scf energy": [[1756, "psivar-DCT-SCF-ENERGY", false]], "dct three-particle energy": [[1756, "psivar-DCT-THREE-PARTICLE-ENERGY", false]], "dct total energy": [[1756, "psivar-DCT-TOTAL-ENERGY", false]], "dct() (in module psi4.core)": [[173, "psi4.core.dct", false]], "dct_functional (dct)": [[1684, "term-DCT_FUNCTIONAL-DCT", true]], "dct_guess (dct)": [[1684, "term-DCT_GUESS-DCT", true]], "dct_type (dct)": [[1684, "term-DCT_TYPE-DCT", true]], "dd solvation energy": [[1756, "psivar-DD-SOLVATION-ENERGY", false]], "dd_density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.dd_density_integral", false]], "ddot() (in module psi4.core)": [[25, "psi4.core.DDOT", false]], "ddx": [[1734, "index-0", false]], "ddx (globals)": [[1684, "term-DDX-GLOBALS", true]], "ddx_diis_max_vecs (ddx)": [[1684, "term-DDX_DIIS_MAX_VECS-DDX", true]], "ddx_eta (ddx)": [[1684, "term-DDX_ETA-DDX", true]], "ddx_fmm (ddx)": [[1684, "term-DDX_FMM-DDX", true]], "ddx_fmm_local_lmax (ddx)": [[1684, "term-DDX_FMM_LOCAL_LMAX-DDX", true]], "ddx_fmm_multipole_lmax (ddx)": [[1684, "term-DDX_FMM_MULTIPOLE_LMAX-DDX", true]], "ddx_incore (ddx)": [[1684, "term-DDX_INCORE-DDX", true]], "ddx_lmax (ddx)": [[1684, "term-DDX_LMAX-DDX", true]], "ddx_logfile (ddx)": [[1684, "term-DDX_LOGFILE-DDX", true]], "ddx_maxiter (ddx)": [[1684, "term-DDX_MAXITER-DDX", true]], "ddx_model (ddx)": [[1684, "term-DDX_MODEL-DDX", true]], "ddx_n_lebedev (ddx)": [[1684, "term-DDX_N_LEBEDEV-DDX", true]], "ddx_radii (ddx)": [[1684, "term-DDX_RADII-DDX", true]], "ddx_radii_scaling (ddx)": [[1684, "term-DDX_RADII_SCALING-DDX", true]], "ddx_radii_set (ddx)": [[1684, "term-DDX_RADII_SET-DDX", true]], "ddx_shift (ddx)": [[1684, "term-DDX_SHIFT-DDX", true]], "ddx_solute_radial_points (ddx)": [[1684, "term-DDX_SOLUTE_RADIAL_POINTS-DDX", true]], "ddx_solute_spherical_points (ddx)": [[1684, "term-DDX_SOLUTE_SPHERICAL_POINTS-DDX", true]], "ddx_solvation_convergence (ddx)": [[1684, "term-DDX_SOLVATION_CONVERGENCE-DDX", true]], "ddx_solvent (ddx)": [[1684, "term-DDX_SOLVENT-DDX", true]], "ddx_solvent_epsilon (ddx)": [[1684, "term-DDX_SOLVENT_EPSILON-DDX", true]], "ddx_solvent_epsilon_optical (ddx)": [[1684, "term-DDX_SOLVENT_EPSILON_OPTICAL-DDX", true]], "ddx_solvent_kappa (ddx)": [[1684, "term-DDX_SOLVENT_KAPPA-DDX", true]], "deactivate_all_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.deactivate_all_fragments", false]], "debug (ccdensity)": [[1684, "term-DEBUG-CCDENSITY", true]], "debug (cphf)": [[1684, "term-DEBUG-CPHF", true]], "debug (globals)": [[1684, "term-DEBUG-GLOBALS", true]], "deep_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.deep_copy", false]], "default (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.Default", false]], "default auxiliary": [[1712, "index-0", false]], "defines (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.defines", false]], "degen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.degen", false]], "del_array_variable() (in module psi4.core)": [[174, "psi4.core.del_array_variable", false]], "del_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_array_variable", false]], "del_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_potential_variable", false]], "del_scalar_variable() (in module psi4.core)": [[175, "psi4.core.del_scalar_variable", false]], "del_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_scalar_variable", false]], "del_variable() (in module psi4.core)": [[176, "psi4.core.del_variable", false]], "del_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.del_variable", false]], "delete_tei (cctransort)": [[1684, "term-DELETE_TEI-CCTRANSORT", true]], "delta correction": [[1720, "index-0", false]], "delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.delta", false]], "denominator_algorithm (sapt)": [[1684, "term-DENOMINATOR_ALGORITHM-SAPT", true]], "denominator_delta (sapt)": [[1684, "term-DENOMINATOR_DELTA-SAPT", true]], "denominator_occ() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_occ", false]], "denominator_occ() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_occ", false]], "denominator_vir() (psi4.core.laplacedenominator method)": [[95, "psi4.core.LaplaceDenominator.denominator_vir", false]], "denominator_vir() (psi4.core.tlaplacedenominator method)": [[140, "psi4.core.TLaplaceDenominator.denominator_vir", false]], "density-fitting": [[1736, "index-0", false], [1751, "index-1", false]], "density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.density_cutoff", false]], "density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.density_cutoff", false]], "density_integral() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.density_integral", false]], "density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.density_tolerance", false]], "deriv (class in psi4.core)": [[61, "psi4.core.Deriv", false]], "deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.deriv", false]], "deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.deriv", false]], "derivcalctype (class in psi4.core)": [[62, "psi4.core.DerivCalcType", false]], "dertype (efp)": [[1684, "term-DERTYPE-EFP", true]], "dertype (globals)": [[1684, "term-DERTYPE-GLOBALS", true]], "descending (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.Descending", false]], "description (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.description", false]], "description (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.description", false]], "description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.description", false]], "description() (psi4.core.functional method)": [[80, "psi4.core.Functional.description", false]], "description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.description", false]], "detci avg dvec norm": [[1756, "psivar-DETCI-AVG-DVEC-NORM", false]], "detci() (in module psi4.core)": [[177, "psi4.core.detci", false]], "detci_freeze_core (detci)": [[1684, "term-DETCI_FREEZE_CORE-DETCI", true]], "df-ccsd(t)": [[1751, "index-1", false]], "df-mp2": [[1736, "index-0", false], [1736, "index-1", false]], "df_basis_cc (fnocc)": [[1684, "term-DF_BASIS_CC-FNOCC", true]], "df_basis_cc (globals)": [[1684, "term-DF_BASIS_CC-GLOBALS", true]], "df_basis_dct (dct)": [[1684, "term-DF_BASIS_DCT-DCT", true]], "df_basis_elst (sapt)": [[1684, "term-DF_BASIS_ELST-SAPT", true]], "df_basis_ep2 (dfep2)": [[1684, "term-DF_BASIS_EP2-DFEP2", true]], "df_basis_guess (scf)": [[1684, "term-DF_BASIS_GUESS-SCF", true]], "df_basis_mcscf (detci)": [[1684, "term-DF_BASIS_MCSCF-DETCI", true]], "df_basis_mp2 (dfmp2)": [[1684, "term-DF_BASIS_MP2-DFMP2", true]], "df_basis_mp2 (dlpno)": [[1684, "term-DF_BASIS_MP2-DLPNO", true]], "df_basis_sad (scf)": [[1684, "term-DF_BASIS_SAD-SCF", true]], "df_basis_sapt (sapt)": [[1684, "term-DF_BASIS_SAPT-SAPT", true]], "df_basis_scf (cphf)": [[1684, "term-DF_BASIS_SCF-CPHF", true]], "df_basis_scf (scf)": [[1684, "term-DF_BASIS_SCF-SCF", true]], "df_bump_r0 (scf)": [[1684, "term-DF_BUMP_R0-SCF", true]], "df_bump_r1 (scf)": [[1684, "term-DF_BUMP_R1-SCF", true]], "df_domains (scf)": [[1684, "term-DF_DOMAINS-SCF", true]], "df_fitting_condition (scf)": [[1684, "term-DF_FITTING_CONDITION-SCF", true]], "df_ints_io (dfmp2)": [[1684, "term-DF_INTS_IO-DFMP2", true]], "df_ints_io (scf)": [[1684, "term-DF_INTS_IO-SCF", true]], "df_ints_num_threads (dfmp2)": [[1684, "term-DF_INTS_NUM_THREADS-DFMP2", true]], "df_ints_num_threads (scf)": [[1684, "term-DF_INTS_NUM_THREADS-SCF", true]], "df_metric (scf)": [[1684, "term-DF_METRIC-SCF", true]], "df_scf_guess (scf)": [[1684, "term-DF_SCF_GUESS-SCF", true]], "df_theta (scf)": [[1684, "term-DF_THETA-SCF", true]], "dfcc (fnocc)": [[1684, "term-DFCC-FNOCC", true]], "dfep2wavefunction (class in psi4.core)": [[26, "psi4.core.DFEP2Wavefunction", false]], "dfh() (psi4.core.memdfjk method)": [[102, "psi4.core.MemDFJK.dfh", false]], "dfhelper (class in psi4.core)": [[27, "psi4.core.DFHelper", false]], "dfmp2() (in module psi4.core)": [[178, "psi4.core.dfmp2", false]], "dfmp2_mem_factor (dfmp2)": [[1684, "term-DFMP2_MEM_FACTOR-DFMP2", true]], "dfmp2_p2_tolerance (dfmp2)": [[1684, "term-DFMP2_P2_TOLERANCE-DFMP2", true]], "dfmp2_p_tolerance (dfmp2)": [[1684, "term-DFMP2_P_TOLERANCE-DFMP2", true]], "dfocc() (in module psi4.core)": [[179, "psi4.core.dfocc", false]], "dfsomcscf (class in psi4.core)": [[28, "psi4.core.DFSOMCSCF", false]], "dft": [[1737, "index-0", false], [1738, "index-0", false], [1764, "index-0", false]], "dft dipole gradient": [[1756, "psivar-DFT-DIPOLE-GRADIENT", false]], "dft functional total energy": [[1756, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", false]], "dft total energy": [[1756, "psivar-DFT-TOTAL-ENERGY", false]], "dft total gradient": [[1756, "psivar-DFT-TOTAL-GRADIENT", false]], "dft total hessian": [[1756, "psivar-DFT-TOTAL-HESSIAN", false]], "dft vv10 energy": [[1756, "psivar-DFT-VV10-ENERGY", false]], "dft xc energy": [[1756, "psivar-DFT-XC-ENERGY", false]], "dft_alpha (scf)": [[1684, "term-DFT_ALPHA-SCF", true]], "dft_alpha_c (scf)": [[1684, "term-DFT_ALPHA_C-SCF", true]], "dft_basis_tolerance (scf)": [[1684, "term-DFT_BASIS_TOLERANCE-SCF", true]], "dft_block_max_points (scf)": [[1684, "term-DFT_BLOCK_MAX_POINTS-SCF", true]], "dft_block_max_radius (scf)": [[1684, "term-DFT_BLOCK_MAX_RADIUS-SCF", true]], "dft_block_min_points (scf)": [[1684, "term-DFT_BLOCK_MIN_POINTS-SCF", true]], "dft_block_scheme (scf)": [[1684, "term-DFT_BLOCK_SCHEME-SCF", true]], "dft_bs_radius_alpha (scf)": [[1684, "term-DFT_BS_RADIUS_ALPHA-SCF", true]], "dft_density_tolerance (scf)": [[1684, "term-DFT_DENSITY_TOLERANCE-SCF", true]], "dft_dispersion_parameters (scf)": [[1684, "term-DFT_DISPERSION_PARAMETERS-SCF", true]], "dft_grac_alpha (scf)": [[1684, "term-DFT_GRAC_ALPHA-SCF", true]], "dft_grac_beta (scf)": [[1684, "term-DFT_GRAC_BETA-SCF", true]], "dft_grac_c_func (scf)": [[1684, "term-DFT_GRAC_C_FUNC-SCF", true]], "dft_grac_shift (scf)": [[1684, "term-DFT_GRAC_SHIFT-SCF", true]], "dft_grac_x_func (scf)": [[1684, "term-DFT_GRAC_X_FUNC-SCF", true]], "dft_grid_name (scf)": [[1684, "term-DFT_GRID_NAME-SCF", true]], "dft_nuclear_scheme (scf)": [[1684, "term-DFT_NUCLEAR_SCHEME-SCF", true]], "dft_omega (scf)": [[1684, "term-DFT_OMEGA-SCF", true]], "dft_omega_c (scf)": [[1684, "term-DFT_OMEGA_C-SCF", true]], "dft_pruning_alpha (scf)": [[1684, "term-DFT_PRUNING_ALPHA-SCF", true]], "dft_pruning_scheme (scf)": [[1684, "term-DFT_PRUNING_SCHEME-SCF", true]], "dft_radial_points (scf)": [[1684, "term-DFT_RADIAL_POINTS-SCF", true]], "dft_radial_scheme (scf)": [[1684, "term-DFT_RADIAL_SCHEME-SCF", true]], "dft_remove_distant_points (scf)": [[1684, "term-DFT_REMOVE_DISTANT_POINTS-SCF", true]], "dft_spherical_points (scf)": [[1684, "term-DFT_SPHERICAL_POINTS-SCF", true]], "dft_spherical_scheme (scf)": [[1684, "term-DFT_SPHERICAL_SCHEME-SCF", true]], "dft_v2_rho_cutoff (scf)": [[1684, "term-DFT_V2_RHO_CUTOFF-SCF", true]], "dft_vv10_b (scf)": [[1684, "term-DFT_VV10_B-SCF", true]], "dft_vv10_c (scf)": [[1684, "term-DFT_VV10_C-SCF", true]], "dft_vv10_postscf (scf)": [[1684, "term-DFT_VV10_POSTSCF-SCF", true]], "dft_vv10_radial_points (scf)": [[1684, "term-DFT_VV10_RADIAL_POINTS-SCF", true]], "dft_vv10_rho_cutoff (scf)": [[1684, "term-DFT_VV10_RHO_CUTOFF-SCF", true]], "dft_vv10_spherical_points (scf)": [[1684, "term-DFT_VV10_SPHERICAL_POINTS-SCF", true]], "dft_weights_tolerance (scf)": [[1684, "term-DFT_WEIGHTS_TOLERANCE-SCF", true]], "dftd3": [[1739, "index-0", false]], "dftd4": [[1739, "index-0", false]], "dftensor (class in psi4.core)": [[30, "psi4.core.DFTensor", false]], "dftgrid (class in psi4.core)": [[29, "psi4.core.DFTGrid", false]], "dftnl": [[1740, "index-0", false]], "dgbmv() (in module psi4.core)": [[31, "psi4.core.DGBMV", false]], "dgeev() (in module psi4.core)": [[32, "psi4.core.DGEEV", false]], "dgemm() (in module psi4.core)": [[33, "psi4.core.DGEMM", false]], "dgemv() (in module psi4.core)": [[34, "psi4.core.DGEMV", false]], "dger() (in module psi4.core)": [[35, "psi4.core.DGER", false]], "dgetrf() (in module psi4.core)": [[36, "psi4.core.DGETRF", false]], "dgetri() (in module psi4.core)": [[37, "psi4.core.DGETRI", false]], "dgetrs() (in module psi4.core)": [[38, "psi4.core.DGETRS", false]], "dhf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.dHF", false]], "diag_h() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.diag_h", false]], "diag_method (detci)": [[1684, "term-DIAG_METHOD-DETCI", true]], "diagonal_ccsd_t (psimrcc)": [[1684, "term-DIAGONAL_CCSD_T-PSIMRCC", true]], "diagonalize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.diagonalize", false]], "diagonalize_heff (psimrcc)": [[1684, "term-DIAGONALIZE_HEFF-PSIMRCC", true]], "diagonalizeorder (class in psi4.core)": [[63, "psi4.core.DiagonalizeOrder", false]], "die_if_not_converged (globals)": [[1684, "term-DIE_IF_NOT_CONVERGED-GLOBALS", true]], "diis": [[1818, "index-2", false]], "diis (ccenergy)": [[1684, "term-DIIS-CCENERGY", true]], "diis (cclambda)": [[1684, "term-DIIS-CCLAMBDA", true]], "diis (ccresponse)": [[1684, "term-DIIS-CCRESPONSE", true]], "diis (class in psi4.driver.p4util)": [[321, "psi4.driver.p4util.DIIS", false]], "diis (detci)": [[1684, "term-DIIS-DETCI", true]], "diis (mcscf)": [[1684, "term-DIIS-MCSCF", true]], "diis (scf)": [[1684, "term-DIIS-SCF", true]], "diis() (psi4.core.cuhf method)": [[14, "psi4.core.CUHF.diis", false]], "diis() (psi4.core.hf method)": [[84, "psi4.core.HF.diis", false]], "diis() (psi4.core.rhf method)": [[128, "psi4.core.RHF.diis", false]], "diis() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.diis", false]], "diis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.diis", false]], "diis_enabled_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_enabled_", false]], "diis_freq (detci)": [[1684, "term-DIIS_FREQ-DETCI", true]], "diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_manager_", false]], "diis_max_vecs (dct)": [[1684, "term-DIIS_MAX_VECS-DCT", true]], "diis_max_vecs (detci)": [[1684, "term-DIIS_MAX_VECS-DETCI", true]], "diis_max_vecs (fnocc)": [[1684, "term-DIIS_MAX_VECS-FNOCC", true]], "diis_max_vecs (mcscf)": [[1684, "term-DIIS_MAX_VECS-MCSCF", true]], "diis_max_vecs (occ)": [[1684, "term-DIIS_MAX_VECS-OCC", true]], "diis_max_vecs (psimrcc)": [[1684, "term-DIIS_MAX_VECS-PSIMRCC", true]], "diis_max_vecs (scf)": [[1684, "term-DIIS_MAX_VECS-SCF", true]], "diis_min_vecs (dct)": [[1684, "term-DIIS_MIN_VECS-DCT", true]], "diis_min_vecs (detci)": [[1684, "term-DIIS_MIN_VECS-DETCI", true]], "diis_min_vecs (occ)": [[1684, "term-DIIS_MIN_VECS-OCC", true]], "diis_min_vecs (scf)": [[1684, "term-DIIS_MIN_VECS-SCF", true]], "diis_rms_error (scf)": [[1684, "term-DIIS_RMS_ERROR-SCF", true]], "diis_start (psimrcc)": [[1684, "term-DIIS_START-PSIMRCC", true]], "diis_start (scf)": [[1684, "term-DIIS_START-SCF", true]], "diis_start_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.diis_start_", false]], "diis_start_convergence (dct)": [[1684, "term-DIIS_START_CONVERGENCE-DCT", true]], "diis_start_iter (detci)": [[1684, "term-DIIS_START_ITER-DETCI", true]], "dim() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dim", false]], "dim() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.dim", false]], "dim() (psi4.core.vector method)": [[148, "psi4.core.Vector.dim", false]], "dimension (class in psi4.core)": [[64, "psi4.core.Dimension", false]], "dimpi() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.dimpi", false]], "dimpi() (psi4.core.vector method)": [[148, "psi4.core.Vector.dimpi", false]], "dipmom (detci)": [[1684, "term-DIPMOM-DETCI", true]], "dipmom (fnocc)": [[1684, "term-DIPMOM-FNOCC", true]], "dipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.dipole_grad", false]], "dipoleint (class in psi4.core)": [[65, "psi4.core.DipoleInt", false]], "directjk (class in psi4.core)": [[66, "psi4.core.DirectJK", false]], "disksomcscf (class in psi4.core)": [[67, "psi4.core.DiskSOMCSCF", false]], "disp (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.disp", false]], "disp (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.disp", false]], "disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.disp", false]], "disp_size (findif)": [[1684, "term-DISP_SIZE-FINDIF", true]], "dispersion (class in psi4.core)": [[68, "psi4.core.Dispersion", false]], "dispersion correction energy": [[1756, "psivar-DISPERSION-CORRECTION-ENERGY", false]], "distance() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.distance", false]], "distance_matrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.distance_matrix", false]], "distributed multipole analysis": [[1755, "index-0", false]], "distributed_matrix (scf)": [[1684, "term-DISTRIBUTED_MATRIX-SCF", true]], "divide() (psi4.core.civector method)": [[12, "psi4.core.CIVector.divide", false]], "dkh": [[1742, "index-0", false]], "dkh_order (globals)": [[1684, "term-DKH_ORDER-GLOBALS", true]], "dlpno() (in module psi4.core)": [[180, "psi4.core.dlpno", false]], "dlpno-mp2": [[1743, "index-0", false], [1743, "index-1", false]], "dlpno_algorithm (dlpno)": [[1684, "term-DLPNO_ALGORITHM-DLPNO", true]], "dlpno_local_orbitals (dlpno)": [[1684, "term-DLPNO_LOCAL_ORBITALS-DLPNO", true]], "dlpno_maxiter (dlpno)": [[1684, "term-DLPNO_MAXITER-DLPNO", true]], "dma": [[1755, "index-0", false]], "dma distributed multipoles": [[1756, "psivar-DMA-DISTRIBUTED-MULTIPOLES", false]], "dma total multipoles": [[1756, "psivar-DMA-TOTAL-MULTIPOLES", false]], "dmrg() (in module psi4.core)": [[181, "psi4.core.dmrg", false]], "dmrg-caspt2 total energy": [[1756, "psivar-DMRG-CASPT2-TOTAL-ENERGY", false]], "dmrg-scf total energy": [[1756, "psivar-DMRG-SCF-TOTAL-ENERGY", false]], "dmrg_caspt2_calc (dmrg)": [[1684, "term-DMRG_CASPT2_CALC-DMRG", true]], "dmrg_caspt2_imag (dmrg)": [[1684, "term-DMRG_CASPT2_IMAG-DMRG", true]], "dmrg_caspt2_ipea (dmrg)": [[1684, "term-DMRG_CASPT2_IPEA-DMRG", true]], "dmrg_caspt2_orbs (dmrg)": [[1684, "term-DMRG_CASPT2_ORBS-DMRG", true]], "dmrg_diis (dmrg)": [[1684, "term-DMRG_DIIS-DMRG", true]], "dmrg_diis_write (dmrg)": [[1684, "term-DMRG_DIIS_WRITE-DMRG", true]], "dmrg_excitation (dmrg)": [[1684, "term-DMRG_EXCITATION-DMRG", true]], "dmrg_irrep (dmrg)": [[1684, "term-DMRG_IRREP-DMRG", true]], "dmrg_local_init (dmrg)": [[1684, "term-DMRG_LOCAL_INIT-DMRG", true]], "dmrg_molden_write (dmrg)": [[1684, "term-DMRG_MOLDEN_WRITE-DMRG", true]], "dmrg_mps_write (dmrg)": [[1684, "term-DMRG_MPS_WRITE-DMRG", true]], "dmrg_multiplicity (dmrg)": [[1684, "term-DMRG_MULTIPLICITY-DMRG", true]], "dmrg_opdm_ao_print (dmrg)": [[1684, "term-DMRG_OPDM_AO_PRINT-DMRG", true]], "dmrg_print_corr (dmrg)": [[1684, "term-DMRG_PRINT_CORR-DMRG", true]], "dmrg_scf_active_space (dmrg)": [[1684, "term-DMRG_SCF_ACTIVE_SPACE-DMRG", true]], "dmrg_scf_diis_thr (dmrg)": [[1684, "term-DMRG_SCF_DIIS_THR-DMRG", true]], "dmrg_scf_grad_thr (dmrg)": [[1684, "term-DMRG_SCF_GRAD_THR-DMRG", true]], "dmrg_scf_max_iter (dmrg)": [[1684, "term-DMRG_SCF_MAX_ITER-DMRG", true]], "dmrg_scf_state_avg (dmrg)": [[1684, "term-DMRG_SCF_STATE_AVG-DMRG", true]], "dmrg_sweep_dvdson_rtol (dmrg)": [[1684, "term-DMRG_SWEEP_DVDSON_RTOL-DMRG", true]], "dmrg_sweep_energy_conv (dmrg)": [[1684, "term-DMRG_SWEEP_ENERGY_CONV-DMRG", true]], "dmrg_sweep_max_sweeps (dmrg)": [[1684, "term-DMRG_SWEEP_MAX_SWEEPS-DMRG", true]], "dmrg_sweep_noise_prefac (dmrg)": [[1684, "term-DMRG_SWEEP_NOISE_PREFAC-DMRG", true]], "dmrg_sweep_states (dmrg)": [[1684, "term-DMRG_SWEEP_STATES-DMRG", true]], "dmrg_unitary_write (dmrg)": [[1684, "term-DMRG_UNITARY_WRITE-DMRG", true]], "dnrm2() (in module psi4.core)": [[39, "psi4.core.DNRM2", false]], 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"ext_force_distance (optking)": [[1684, "term-EXT_FORCE_DISTANCE-OPTKING", true]], "ext_force_oofp (optking)": [[1684, "term-EXT_FORCE_OOFP-OPTKING", true]], "extend() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.extend", false]], "extern (scf)": [[1684, "term-EXTERN-SCF", true]], "external_pot() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.external_pot", false]], "external_potential_symmetry (globals)": [[1684, "term-EXTERNAL_POTENTIAL_SYMMETRY-GLOBALS", true]], "externalpotential (class in psi4.core)": [[73, "psi4.core.ExternalPotential", false]], "extract_subsets() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.extract_subsets", false]], "extrapolate() (psi4.driver.p4util.diis method)": [[321, "psi4.driver.p4util.DIIS.extrapolate", false]], "extrapolation": [[1720, "index-3", false]], "extrapolation schemes": [[1720, "index-3", false]], "exvals() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.Exvals", false]], "eyvals() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.Eyvals", false]], "ezvals() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.Ezvals", false]], "f12() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.f12", false]], "f12_cgtg() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.f12_cgtg", false]], "f12_double_commutator() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.f12_double_commutator", false]], "f12_squared() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.f12_squared", false]], "f12g12() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.f12g12", false]], "f_cut (dlpno)": [[1684, "term-F_CUT-DLPNO", true]], "fa() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fa", false]], "fa_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fa_subset", false]], "factory() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.factory", false]], "fail_on_maxiter (scf)": [[1684, "term-FAIL_ON_MAXITER-SCF", true]], "failure (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Failure", false]], "favg (mcscf)": [[1684, "term-FAVG-MCSCF", true]], "favg_ccsd_t (psimrcc)": [[1684, "term-FAVG_CCSD_T-PSIMRCC", true]], "favg_start (mcscf)": [[1684, "term-FAVG_START-MCSCF", true]], "fb() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fb", false]], "fb_subset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.Fb_subset", false]], "fcharge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fcharge", false]], "fchk": [[1749, "index-0", false]], "fchk() (in module psi4.driver)": [[296, "psi4.driver.fchk", false]], "fchkwriter (class in psi4.core)": [[74, "psi4.core.FCHKWriter", false]], "fci (detci)": [[1684, "term-FCI-DETCI", true]], "fci correlation energy": [[1756, "psivar-FCI-CORRELATION-ENERGY", false]], "fci total energy": [[1756, "psivar-FCI-TOTAL-ENERGY", false]], "fci_strings (detci)": [[1684, "term-FCI_STRINGS-DETCI", true]], "fcidump() (in module psi4.driver)": [[297, "psi4.driver.fcidump", false]], "fcidump() (in module psi4.driver.p4util)": [[347, "psi4.driver.p4util.fcidump", false]], "fcidump_from_file() (in module psi4.driver)": [[298, "psi4.driver.fcidump_from_file", false]], "fcidump_from_file() (in module psi4.driver.p4util)": [[348, "psi4.driver.p4util.fcidump_from_file", false]], "fcidump_tei_helper() (in module psi4.core)": [[187, "psi4.core.fcidump_tei_helper", false]], "fctl dispersion correction energy": [[1756, "psivar-fctl-DISPERSION-CORRECTION-ENERGY", false]], "fctldash (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.fctldash", false]], "fctldash (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.fctldash", false]], "fd_project (findif)": [[1684, "term-FD_PROJECT-FINDIF", true]], "fdds_dispersion (class in psi4.core)": [[75, "psi4.core.FDDS_Dispersion", false]], "fdisp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.fdisp", false]], "felst() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.felst", false]], "fexch() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.fexch", false]], "fill() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.fill", false]], "filter_guess (detci)": [[1684, "term-FILTER_GUESS-DETCI", true]], "filter_guess_det1 (detci)": [[1684, "term-FILTER_GUESS_DET1-DETCI", true]], "filter_guess_det2 (detci)": [[1684, "term-FILTER_GUESS_DET2-DETCI", true]], "filter_guess_sign (detci)": [[1684, "term-FILTER_GUESS_SIGN-DETCI", true]], "filter_nonvib() (in module psi4.driver.qcdb.vib)": [[384, "psi4.driver.qcdb.vib.filter_nonvib", false]], "filter_omega_to_real() (in module psi4.driver.qcdb.vib)": [[385, "psi4.driver.qcdb.vib.filter_omega_to_real", false]], "filter_zero_det (detci)": [[1684, "term-FILTER_ZERO_DET-DETCI", true]], "finalize() (in module psi4.core)": [[188, "psi4.core.finalize", false]], "finalize() (psi4.core.hf method)": [[84, "psi4.core.HF.finalize", false]], "finalize() (psi4.core.jk method)": [[92, "psi4.core.JK.finalize", false]], "finalize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.finalize", false]], "finalize_energy() (psi4.core.hf method)": [[84, "psi4.core.HF.finalize_energy", false]], "find() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.find", false]], "find_approximate_string_matches() (in module psi4.driver)": [[299, "psi4.driver.find_approximate_string_matches", false]], "find_approximate_string_matches() (in module psi4.driver.p4util)": [[349, "psi4.driver.p4util.find_approximate_string_matches", false]], "find_highest_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.find_highest_point_group", false]], "find_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.find_occupation", false]], "find_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.find_point_group", false]], "findif number": [[1756, "psivar-FINDIF-NUMBER", false]], "findifrec (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.findifrec", false]], "first() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.first", false]], "fisapt": [[1750, "index-0", false]], "fisapt (class in psi4.core)": [[76, "psi4.core.FISAPT", false]], "fisapt_charge_completeness (fisapt)": [[1684, "term-FISAPT_CHARGE_COMPLETENESS-FISAPT", true]], "fisapt_cube_densmat (fisapt)": [[1684, "term-FISAPT_CUBE_DENSMAT-FISAPT", true]], "fisapt_cube_linkibos (fisapt)": [[1684, "term-FISAPT_CUBE_LINKIBOS-FISAPT", true]], "fisapt_cube_linkihos (fisapt)": [[1684, "term-FISAPT_CUBE_LINKIHOS-FISAPT", true]], "fisapt_do_fsapt (fisapt)": [[1684, "term-FISAPT_DO_FSAPT-FISAPT", true]], "fisapt_do_fsapt_disp (fisapt)": [[1684, "term-FISAPT_DO_FSAPT_DISP-FISAPT", true]], "fisapt_do_plot (fisapt)": [[1684, "term-FISAPT_DO_PLOT-FISAPT", true]], "fisapt_exch_parperp (fisapt)": [[1684, "term-FISAPT_EXCH_PARPERP-FISAPT", true]], "fisapt_fsapt_exch_scale (fisapt)": [[1684, "term-FISAPT_FSAPT_EXCH_SCALE-FISAPT", true]], "fisapt_fsapt_filepath (fisapt)": [[1684, "term-FISAPT_FSAPT_FILEPATH-FISAPT", true]], "fisapt_fsapt_ind_response (fisapt)": [[1684, "term-FISAPT_FSAPT_IND_RESPONSE-FISAPT", true]], "fisapt_fsapt_ind_scale (fisapt)": [[1684, "term-FISAPT_FSAPT_IND_SCALE-FISAPT", true]], "fisapt_fssapt_filepath (fisapt)": [[1684, "term-FISAPT_FSSAPT_FILEPATH-FISAPT", true]], "fisapt_link_assignment (fisapt)": [[1684, "term-FISAPT_LINK_ASSIGNMENT-FISAPT", true]], "fisapt_link_ortho (fisapt)": [[1684, "term-FISAPT_LINK_ORTHO-FISAPT", true]], "fisapt_link_selection (fisapt)": [[1684, "term-FISAPT_LINK_SELECTION-FISAPT", true]], "fisapt_manual_links (fisapt)": [[1684, "term-FISAPT_MANUAL_LINKS-FISAPT", true]], "fisapt_mem_safety_factor (fisapt)": [[1684, "term-FISAPT_MEM_SAFETY_FACTOR-FISAPT", true]], "fisapt_plot_filepath (fisapt)": [[1684, "term-FISAPT_PLOT_FILEPATH-FISAPT", true]], "fittedslatercorrelationfactor (class in psi4.core)": [[77, "psi4.core.FittedSlaterCorrelationFactor", false]], "fittingmetric (class in psi4.core)": [[78, "psi4.core.FittingMetric", false]], "fix_com() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_com", false]], "fix_orientation() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fix_orientation", false]], "flabel() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.flabel", false]], "flexible_g_convergence (optking)": [[1684, "term-FLEXIBLE_G_CONVERGENCE-OPTKING", true]], "flocalize() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.flocalize", false]], "flush_outfile() (in module psi4.core)": [[189, "psi4.core.flush_outfile", false]], "fmass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fmass", false]], "fno-cc": [[1751, "index-0", false]], "fno-ccsd(t)": [[1751, "index-1", false]], "fno-mp4": [[1751, "index-1", false]], "fno-qcisd(t)": [[1751, "index-1", false]], "fnocc": [[1751, "index-2", false], [1751, "index-3", false]], "fnocc() (in module psi4.core)": [[190, "psi4.core.fnocc", false]], "follow_root (detci)": [[1684, "term-FOLLOW_ROOT-DETCI", true]], "follow_root (mcscf)": [[1684, "term-FOLLOW_ROOT-MCSCF", true]], "follow_root (psimrcc)": [[1684, "term-FOLLOW_ROOT-PSIMRCC", true]], "follow_step_increment (scf)": [[1684, "term-FOLLOW_STEP_INCREMENT-SCF", true]], "follow_step_scale (scf)": [[1684, "term-FOLLOW_STEP_SCALE-SCF", true]], "follow_vector (detci)": [[1684, "term-FOLLOW_VECTOR-DETCI", true]], "force_occpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.force_occpi", false]], "force_restart (ccenergy)": [[1684, "term-FORCE_RESTART-CCENERGY", true]], "force_twocon (mcscf)": [[1684, "term-FORCE_TWOCON-MCSCF", true]], "form_aux_matrices() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_aux_matrices", false]], "form_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_C", false]], "form_cholesky_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_cholesky_inverse", false]], "form_d() (psi4.core.hf method)": [[84, "psi4.core.HF.form_D", false]], "form_eig_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_eig_inverse", false]], "form_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_F", false]], "form_fdsmsdf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_FDSmSDF", false]], "form_fitting_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_fitting_metric", false]], "form_full_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_full_inverse", false]], "form_g() (psi4.core.hf method)": [[84, "psi4.core.HF.form_G", false]], "form_h() (psi4.core.hf method)": [[84, "psi4.core.HF.form_H", false]], "form_initial_c() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_C", false]], "form_initial_f() (psi4.core.hf method)": [[84, "psi4.core.HF.form_initial_F", false]], "form_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_opdm", false]], "form_qr_inverse() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.form_QR_inverse", false]], "form_rotation_matrix() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.form_rotation_matrix", false]], "form_shalf() (psi4.core.hf method)": [[84, "psi4.core.HF.form_Shalf", false]], "form_symmetry_information() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.form_symmetry_information", false]], "form_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.form_tpdm", false]], "form_unc_amplitude() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.form_unc_amplitude", false]], "form_v() (psi4.core.hf method)": [[84, "psi4.core.HF.form_V", false]], "format_molecule_for_input() (in module psi4.driver.p4util)": [[350, "psi4.driver.p4util.format_molecule_for_input", false]], "format_molecule_for_mol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.format_molecule_for_mol", false]], "format_options_for_input() (in module psi4.driver.p4util)": [[351, "psi4.driver.p4util.format_options_for_input", false]], "frac_diis (scf)": [[1684, "term-FRAC_DIIS-SCF", true]], "frac_load (scf)": [[1684, "term-FRAC_LOAD-SCF", true]], "frac_nuke() (in module psi4.driver.frac)": [[1748, "psi4.driver.frac.frac_nuke", false]], "frac_occ (scf)": [[1684, "term-FRAC_OCC-SCF", true]], "frac_performed_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.frac_performed_", false]], "frac_renormalize (scf)": [[1684, "term-FRAC_RENORMALIZE-SCF", true]], "frac_renormalize() (psi4.core.hf method)": [[84, "psi4.core.HF.frac_renormalize", false]], "frac_start (scf)": [[1684, "term-FRAC_START-SCF", true]], "frac_traverse() (in module psi4.driver.frac)": [[1748, "psi4.driver.frac.frac_traverse", false]], "frac_val (scf)": [[1684, "term-FRAC_VAL-SCF", true]], "frag_mode (optking)": [[1684, "term-FRAG_MODE-OPTKING", true]], "frag_ref_atoms (optking)": [[1684, "term-FRAG_REF_ATOMS-OPTKING", true]], "fragmenttype (class in psi4.core)": [[79, "psi4.core.FragmentType", false]], "free_atom_volumes() (in module psi4.driver.p4util)": [[352, "psi4.driver.p4util.free_atom_volumes", false]], "freeze_core (globals)": [[1684, "term-FREEZE_CORE-GLOBALS", true]], "freeze_core (sapt)": [[1684, "term-FREEZE_CORE-SAPT", true]], "freeze_core() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.freeze_core", false]], "freeze_core_policy (globals)": [[1684, "term-FREEZE_CORE_POLICY-GLOBALS", true]], "freeze_interfrag (optking)": [[1684, "term-FREEZE_INTERFRAG-OPTKING", true]], "freeze_intrafrag (optking)": [[1684, "term-FREEZE_INTRAFRAG-OPTKING", true]], "freq()": [[1752, "index-0", false]], "freq() (in module psi4.driver)": [[300, "psi4.driver.freq", false]], "frequencies()": [[1752, "index-0", false]], "frequencies() (in module psi4.driver)": [[301, "psi4.driver.frequencies", false]], "frequencies() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frequencies", false]], "frequency()": [[1752, "index-0", false]], "frequency() (in module psi4.driver)": [[302, "psi4.driver.frequency", false]], "frequency();": [[1752, "index-0", false]], "from_array() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_array", false]], "from_array() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_array", false]], "from_arrays() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_arrays", false]], "from_dict() (psi4.core.molecule static method)": [[106, "psi4.core.Molecule.from_dict", false]], "from_file() (psi4.core.wavefunction static method)": [[150, "psi4.core.Wavefunction.from_file", false]], "from_list() (psi4.core.dimension class method)": [[64, "psi4.core.Dimension.from_list", false]], "from_list() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_list", false]], "from_list() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_list", false]], "from_schema() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_schema", false]], "from_serial() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.from_serial", false]], "from_serial() (psi4.core.vector class method)": [[148, "psi4.core.Vector.from_serial", false]], "from_string() (psi4.core.molecule class method)": [[106, "psi4.core.Molecule.from_string", false]], "frozen natural orbital coupled cluster": [[1751, "index-0", false]], "frozen natural orbitals": [[1751, "index-1", false]], "frozen_bend (optking)": [[1684, "term-FROZEN_BEND-OPTKING", true]], "frozen_cartesian (optking)": [[1684, "term-FROZEN_CARTESIAN-OPTKING", true]], "frozen_dihedral (optking)": [[1684, "term-FROZEN_DIHEDRAL-OPTKING", true]], "frozen_distance (optking)": [[1684, "term-FROZEN_DISTANCE-OPTKING", true]], "frozen_docc (globals)": [[1684, "term-FROZEN_DOCC-GLOBALS", true]], "frozen_oofp (optking)": [[1684, "term-FROZEN_OOFP-OPTKING", true]], "frozen_uocc (globals)": [[1684, "term-FROZEN_UOCC-GLOBALS", true]], "frzcpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzcpi", false]], "frzvpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.frzvpi", false]], "fsymbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fsymbol", false]], "ftrue_atomic_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.ftrue_atomic_number", false]], "full (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.Full", false]], "full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_geometry", false]], "full_hess_every (optking)": [[1684, "term-FULL_HESS_EVERY-OPTKING", true]], "full_matrix (cceom)": [[1684, "term-FULL_MATRIX-CCEOM", true]], "full_name() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.full_name", false]], "full_pg_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.full_pg_n", false]], "function call": [[1752, "index-0", false], [1780, "index-0", false]], "function_index (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.function_index", false]], "function_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_center", false]], "function_to_shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.function_to_shell", false]], "functional (class in psi4.core)": [[80, "psi4.core.Functional", false]], "functional() (psi4.core.hf method)": [[84, "psi4.core.HF.functional", false]], "functional() (psi4.core.vbase method)": [[147, "psi4.core.VBase.functional", false]], "functionals": [[1764, "index-0", false]], "functions_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.functions_local_to_global", false]], "fx() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fx", false]], "fy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fy", false]], "fz() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.fZ", false], [106, "psi4.core.Molecule.fz", false]], "fzc() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzc", false]], "fzv() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.fzv", false]], "g_convergence (optking)": [[1684, "term-G_CONVERGENCE-OPTKING", true]], "gamma (psi4.driver.p4util.lineshape attribute)": [[324, "psi4.driver.p4util.Lineshape.gamma", false]], "gamma() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.gamma", false]], "gau2grid": [[1753, "index-0", false]], "gauge (adc)": [[1684, "term-GAUGE-ADC", true]], "gauge (ccdensity)": [[1684, "term-GAUGE-CCDENSITY", true]], "gauge (ccresponse)": [[1684, "term-GAUGE-CCRESPONSE", true]], "gaussian (class in psi4.driver.p4util)": [[322, "psi4.driver.p4util.Gaussian", false]], "gaussian formatted checkpoint": [[1749, "index-0", false]], "gaussianshell (class in psi4.core)": [[81, "psi4.core.GaussianShell", false]], "gaussiantype (class in psi4.core)": [[82, "psi4.core.GaussianType", false]], "gcp": [[1754, "index-0", false]], "gdma": [[1755, "index-0", false]], "gdma() (in module psi4.driver)": [[303, "psi4.driver.gdma", false]], "gdma_limit (gdma)": [[1684, "term-GDMA_LIMIT-GDMA", true]], "gdma_multipole_units (gdma)": [[1684, "term-GDMA_MULTIPOLE_UNITS-GDMA", true]], "gdma_origin (gdma)": [[1684, "term-GDMA_ORIGIN-GDMA", true]], "gdma_radius (gdma)": [[1684, "term-GDMA_RADIUS-GDMA", true]], "gdma_switch (gdma)": [[1684, "term-GDMA_SWITCH-GDMA", true]], "gemm() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.gemm", false]], "genbas() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.genbas", false]], "general": [[1812, "index-2", false]], "general_invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.general_invert", false]], "geom_maxiter (optking)": [[1684, "term-GEOM_MAXITER-OPTKING", true]], "geometry optimization": [[1780, "index-0", false], [1782, "index-1", false], [1782, "index-2", false], [1782, "index-3", false], [1782, "index-4", false]], "geometry optimization, optimization": [[1782, "index-0", false]], "geometry() (in module psi4.driver)": [[304, "psi4.driver.geometry", false]], "geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.geometry", false]], "geometryunits (class in psi4.core)": [[83, "psi4.core.GeometryUnits", false]], "get() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get", false]], "get() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get", false]], "get() (psi4.core.vector method)": [[148, "psi4.core.Vector.get", false]], "get_active_molecule() (in module psi4.core)": [[191, "psi4.core.get_active_molecule", false]], "get_algorithm() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_algorithm", false]], "get_amplitudes() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.get_amplitudes", false]], "get_ao_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_core", false]], "get_ao_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_AO_size", false]], "get_array() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_array", false]], "get_array_variable() (in module psi4.core)": [[192, "psi4.core.get_array_variable", false]], "get_array_variables() (in module psi4.core)": [[193, "psi4.core.get_array_variables", false]], "get_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_basisset", false]], "get_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.get_block", false]], "get_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.get_block", false]], "get_block() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_block", false]], "get_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.get_block", false]], "get_bool() (psi4.core.options method)": [[114, "psi4.core.Options.get_bool", false]], "get_cosx_grid() (psi4.core.compositejk method)": [[18, "psi4.core.CompositeJK.get_COSX_grid", false]], "get_current_module() (psi4.core.options method)": [[114, "psi4.core.Options.get_current_module", false]], "get_datadir() (in module psi4.core)": [[194, "psi4.core.get_datadir", false]], "get_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.get_default_namespace", false]], "get_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_default_path", false]], "get_density() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_density", false]], "get_dimension() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_dimension", false]], "get_dipole_field_strength() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_dipole_field_strength", false]], "get_double() (psi4.core.options method)": [[114, "psi4.core.Options.get_double", false]], "get_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_dpd_id", false]], "get_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.get_energies", false]], "get_file_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.get_file_path", false]], "get_fragment_charges() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_charges", false]], "get_fragment_multiplicities() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_multiplicities", false]], "get_fragment_types() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragment_types", false]], "get_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_fragments", false]], "get_frozen_core_energy() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_frozen_core_energy", false]], "get_full_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group", false]], "get_full_point_group_with_n() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_full_point_group_with_n", false]], "get_global_option() (in module psi4.core)": [[195, "psi4.core.get_global_option", false]], "get_global_option_list() (in module psi4.core)": [[196, "psi4.core.get_global_option_list", false]], "get_int() (psi4.core.options method)": [[114, "psi4.core.Options.get_int", false]], "get_int_vector() (psi4.core.options method)": [[114, "psi4.core.Options.get_int_vector", false]], "get_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_dpd_so_ints", false]], "get_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_ht_ints", false]], "get_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_keep_iwl_so_ints", false]], "get_local_option() (in module psi4.core)": [[197, "psi4.core.get_local_option", false]], "get_memory() (in module psi4.core)": [[198, "psi4.core.get_memory", false]], "get_memory() (in module psi4.driver)": [[305, "psi4.driver.get_memory", false]], "get_memory() (in module psi4.driver.p4util)": [[353, "psi4.driver.p4util.get_memory", false]], "get_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_memory", false]], "get_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_memory", false]], "get_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_method", false]], "get_metric() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_metric", false]], "get_mix_data() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.get_mix_data", false]], "get_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_MO_core", false]], "get_np_xyzw() (psi4.core.vbase method)": [[147, "psi4.core.VBase.get_np_xyzw", false]], "get_num_threads() (in module psi4.core)": [[199, "psi4.core.get_num_threads", false]], "get_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega", false]], "get_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_alpha", false]], "get_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.get_omega_beta", false]], "get_opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_opdm", false]], "get_option() (in module psi4.core)": [[200, "psi4.core.get_option", false]], "get_options() (in module psi4.core)": [[201, "psi4.core.get_options", false]], "get_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_orbitals", false]], "get_output_file() (in module psi4.core)": [[202, "psi4.core.get_output_file", false]], "get_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_pivots", false]], "get_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_print", false]], "get_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_print", false]], "get_psi_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_psi_results", false]], "get_psi_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.get_psi_results", false]], "get_psifile() (in module psi4.driver.p4util)": [[354, "psi4.driver.p4util.get_psifile", false]], "get_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_psio", false]], "get_results() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.get_results", false]], "get_results() (psi4.driver.driver_cbs.compositecomputer method)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.get_results", false]], "get_results() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.get_results", false]], "get_results() (psi4.driver.driver_nbody.manybodycomputer method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.get_results", false]], "get_reverse_pivots() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.get_reverse_pivots", false]], "get_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_schwarz_cutoff", false]], "get_scratch_filename() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_scratch_filename", false]], "get_space_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_space_size", false]], "get_str() (psi4.core.options method)": [[114, "psi4.core.Options.get_str", false]], "get_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.get_tei_already_presorted", false]], "get_tensor() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor", false]], "get_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.get_tensor_pqQ", false]], "get_tensor_shape() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_shape", false]], "get_tensor_size() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.get_tensor_size", false]], "get_tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.get_tpdm", false]], "get_variable() (in module psi4.core)": [[203, "psi4.core.get_variable", false]], "get_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.get_variable", false]], "get_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.get_variable", false]], "get_variables() (in module psi4.core)": [[204, "psi4.core.get_variables", false]], "get_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.get_wcombine", false]], "get_writer_file_prefix() (in module psi4.core)": [[205, "psi4.core.get_writer_file_prefix", false]], "get_x1() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x1", false]], "get_x2() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x2", false]], "get_x3() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x3", false]], "get_x4() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_x4", false]], "get_z() (psi4.core.ls_thc_computer method)": [[94, "psi4.core.LS_THC_Computer.get_Z", false]], "getattr_ignorecase() (in module psi4.driver.p4util)": [[355, "psi4.driver.p4util.getattr_ignorecase", false]], "getcharges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.getCharges", false]], "getpid() (psi4.core.io method)": [[86, "psi4.core.IO.getpid", false]], "ghost": [[1813, "index-3", false]], "ghost (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.Ghost", false]], "ghost atoms": [[1813, "index-3", false]], "gibbs free energy": [[1756, "psivar-GIBBS-FREE-ENERGY", false]], "gibbs free energy correction": [[1756, "psivar-GIBBS-FREE-ENERGY-CORRECTION", false]], "git_version() (in module psi4.core)": [[206, "psi4.core.git_version", false]], "grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_alpha", false]], "grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_beta", false]], "grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.grac_shift", false]], "gradient": [[1780, "index-0", false]], "gradient() (in module psi4.driver)": [[306, "psi4.driver.gradient", false]], "gradient() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient", false]], "gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.gradient", false]], "gradient_on_charges() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.gradient_on_charges", false]], "gradient_rms() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.gradient_rms", false]], "gradient_write (findif)": [[1684, "term-GRADIENT_WRITE-FINDIF", true]], "grid electrons alpha": [[1756, "psivar-GRID-ELECTRONS-ALPHA", false]], "grid electrons beta": [[1756, "psivar-GRID-ELECTRONS-BETA", false]], "grid electrons total": [[1756, "psivar-GRID-ELECTRONS-TOTAL", false]], "grid() (psi4.core.vbase method)": [[147, "psi4.core.VBase.grid", false]], "group() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.group", false]], "guess (scf)": [[1684, "term-GUESS-SCF", true]], "guess() (psi4.core.hf method)": [[84, "psi4.core.HF.guess", false]], "guess_ca() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Ca", false]], "guess_cb() (psi4.core.hf method)": [[84, "psi4.core.HF.guess_Cb", false]], "guess_mix (scf)": [[1684, "term-GUESS_MIX-SCF", true]], "guess_persist (scf)": [[1684, "term-GUESS_PERSIST-SCF", true]], "guess_r_convergence (dct)": [[1684, "term-GUESS_R_CONVERGENCE-DCT", true]], "guess_vector (detci)": [[1684, "term-GUESS_VECTOR-DETCI", true]], "h() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.H", false]], "h0_block_coupling (detci)": [[1684, "term-H0_BLOCK_COUPLING-DETCI", true]], "h0_block_coupling_size (detci)": [[1684, "term-H0_BLOCK_COUPLING_SIZE-DETCI", true]], "h0_blocksize (detci)": [[1684, "term-H0_BLOCKSIZE-DETCI", true]], "h0_guess_size (detci)": [[1684, "term-H0_GUESS_SIZE-DETCI", true]], "h_approx_diag() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.H_approx_diag", false]], "h_bond_connect (optking)": [[1684, "term-H_BOND_CONNECT-OPTKING", true]], "h_guess_every (optking)": [[1684, "term-H_GUESS_EVERY-OPTKING", true]], "h_update_den_tol (optking)": [[1684, "term-H_UPDATE_DEN_TOL-OPTKING", true]], "hamiltonian() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.hamiltonian", false]], "hamiltonian_solver() (in module psi4.driver.p4util)": [[356, "psi4.driver.p4util.hamiltonian_solver", false]], "harmonic vibrational analysis, vibrational analysis, thermochemical analysis": [[1823, "index-0", false]], "harmonic_analysis() (in module psi4.driver.qcdb.vib)": [[386, "psi4.driver.qcdb.vib.harmonic_analysis", false]], "hartree--fock": [[1818, "index-0", false]], "has_array_variable() (in module psi4.core)": [[207, "psi4.core.has_array_variable", false]], "has_array_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_array_variable", false]], "has_ecp() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_ECP", false]], "has_global_option_changed() (in module psi4.core)": [[208, "psi4.core.has_global_option_changed", false]], "has_local_option_changed() (in module psi4.core)": [[209, "psi4.core.has_local_option_changed", false]], "has_option_changed() (in module psi4.core)": [[210, "psi4.core.has_option_changed", false]], "has_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_potential_variable", false]], "has_puream() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.has_puream", false]], "has_scalar_variable() (in module psi4.core)": [[211, "psi4.core.has_scalar_variable", false]], "has_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_scalar_variable", false]], "has_variable() (in module psi4.core)": [[212, "psi4.core.has_variable", false]], "has_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.has_variable", false]], "has_zmatrix() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.has_zmatrix", false]], "hd_avg (detci)": [[1684, "term-HD_AVG-DETCI", true]], "hd_otf (detci)": [[1684, "term-HD_OTF-DETCI", true]], "hd_vector() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.Hd_vector", false]], "heff4 (psimrcc)": [[1684, "term-HEFF4-PSIMRCC", true]], "heff_print (psimrcc)": [[1684, "term-HEFF_PRINT-PSIMRCC", true]], "height (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.height", false]], "hermitivitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitivitize", false]], "hermitize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.hermitize", false]], "hess_type (dfocc)": [[1684, "term-HESS_TYPE-DFOCC", true]], "hess_update (optking)": [[1684, "term-HESS_UPDATE-OPTKING", true]], "hess_update_limit (optking)": [[1684, "term-HESS_UPDATE_LIMIT-OPTKING", true]], "hess_update_limit_max (optking)": [[1684, "term-HESS_UPDATE_LIMIT_MAX-OPTKING", true]], "hess_update_limit_scale (optking)": [[1684, "term-HESS_UPDATE_LIMIT_SCALE-OPTKING", true]], "hess_update_use_last (optking)": [[1684, "term-HESS_UPDATE_USE_LAST-OPTKING", true]], "hessian": [[1752, "index-0", false]], "hessian() (in module psi4.driver)": [[307, "psi4.driver.hessian", false]], "hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.hessian", false]], "hessian_symmetrize() (in module psi4.driver.qcdb.vib)": [[387, "psi4.driver.qcdb.vib.hessian_symmetrize", false]], "hessian_write (findif)": [[1684, "term-HESSIAN_WRITE-FINDIF", true]], "hf": [[1818, "index-0", false]], "hf (class in psi4.core)": [[84, "psi4.core.HF", false]], "hf dipole gradient": [[1756, "psivar-HF-DIPOLE-GRADIENT", false]], "hf kinetic energy": [[1756, "psivar-HF-KINETIC-ENERGY", false]], "hf potential energy": [[1756, "psivar-HF-POTENTIAL-ENERGY", false]], "hf total energy": [[1756, "psivar-HF-TOTAL-ENERGY", false]], "hf total gradient": [[1756, "psivar-HF-TOTAL-GRADIENT", false]], "hf total hessian": [[1756, "psivar-HF-TOTAL-HESSIAN", false]], "hf virial ratio": [[1756, "psivar-HF-VIRIAL-RATIO", false]], "higher-order": [[1817, "index-3", false]], "hold_met() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.hold_met", false]], "hold_options_state() (in module 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"term-INCFOCK_FULL_FOCK_EVERY-SCF", true]], "ind() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.ind", false]], "induced_convergence (pe)": [[1684, "term-INDUCED_CONVERGENCE-PE", true]], "induction_operator() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.induction_operator", false]], "inertia_tensor() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.inertia_tensor", false]], "init() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.init", false]], "init() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.init", false]], "init() (psi4.core.vector method)": [[148, "psi4.core.Vector.init", false]], "init_io_files() (psi4.core.civector method)": [[12, "psi4.core.CIVector.init_io_files", false]], "initialize() (in module psi4.core)": [[213, "psi4.core.initialize", false]], "initialize() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.initialize", false]], "initialize() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize", false]], "initialize() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.initialize", false]], "initialize() (psi4.core.jk method)": [[92, "psi4.core.JK.initialize", false]], "initialize() (psi4.core.vbase method)": [[147, "psi4.core.VBase.initialize", false]], "initialize_gtfock_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_gtfock_jk", false]], "initialize_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.initialize_jk", false]], "initialized_diis_manager_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.initialized_diis_manager_", false]], "inpsight (class in psi4.driver.p4util)": [[323, "psi4.driver.p4util.InPsight", false]], "input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.input_units_to_au", false]], "insert() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.insert", false]], "installing": [[1718, "index-0", false]], "intcos_generate_exit (optking)": [[1684, "term-INTCOS_GENERATE_EXIT-OPTKING", true]], "integral() 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(optking)": [[1684, "term-INTERFRAG_COORDS-OPTKING", true]], "interfrag_dist_inv (optking)": [[1684, "term-INTERFRAG_DIST_INV-OPTKING", true]], "interfrag_hess (optking)": [[1684, "term-INTERFRAG_HESS-OPTKING", true]], "interfrag_mode (optking)": [[1684, "term-INTERFRAG_MODE-OPTKING", true]], "interfrag_step_limit (optking)": [[1684, "term-INTERFRAG_STEP_LIMIT-OPTKING", true]], "interfragment_connect (optking)": [[1684, "term-INTERFRAGMENT_CONNECT-OPTKING", true]], "internal_rotations (mcscf)": [[1684, "term-INTERNAL_ROTATIONS-MCSCF", true]], "intrafrag_hess (optking)": [[1684, "term-INTRAFRAG_HESS-OPTKING", true]], "intrafrag_step_limit (optking)": [[1684, "term-INTRAFRAG_STEP_LIMIT-OPTKING", true]], "intrafrag_step_limit_max (optking)": [[1684, "term-INTRAFRAG_STEP_LIMIT_MAX-OPTKING", true]], "intrafrag_step_limit_min (optking)": [[1684, "term-INTRAFRAG_STEP_LIMIT_MIN-OPTKING", true]], "ints_tolerance (ccdensity)": [[1684, "term-INTS_TOLERANCE-CCDENSITY", true]], "ints_tolerance (dct)": [[1684, "term-INTS_TOLERANCE-DCT", true]], "ints_tolerance (dfmp2)": [[1684, "term-INTS_TOLERANCE-DFMP2", true]], "ints_tolerance (fisapt)": [[1684, "term-INTS_TOLERANCE-FISAPT", true]], "ints_tolerance (mrcc)": [[1684, "term-INTS_TOLERANCE-MRCC", true]], "ints_tolerance (sapt)": [[1684, "term-INTS_TOLERANCE-SAPT", true]], "ints_tolerance (scf)": [[1684, "term-INTS_TOLERANCE-SCF", true]], "intvector (class in psi4.core)": [[88, "psi4.core.IntVector", false]], "invert() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.invert", false]], "io (class in psi4.core)": [[86, "psi4.core.IO", false]], "iomanager (class in psi4.core)": [[87, "psi4.core.IOManager", false]], "iota() (psi4.core.intvector static method)": [[88, "psi4.core.IntVector.iota", false]], "ip_fitting() (in module psi4.driver.frac)": [[1748, "psi4.driver.frac.ip_fitting", false]], "ip_poles (occ)": [[1684, "term-IP_POLES-OCC", true]], "ipi_broker() (in module psi4.driver)": [[308, "psi4.driver.ipi_broker", false]], "ipibroker (class in psi4.driver.ipi_broker)": [[1748, "psi4.driver.ipi_broker.IPIBroker", false]], "irc": [[1782, "index-2", false]], "irc_direction (optking)": [[1684, "term-IRC_DIRECTION-OPTKING", true]], "irc_points (optking)": [[1684, "term-IRC_POINTS-OPTKING", true]], "irc_step_size (optking)": [[1684, "term-IRC_STEP_SIZE-OPTKING", true]], "irreduciblerepresentation (class in psi4.core)": [[91, "psi4.core.IrreducibleRepresentation", false]], "irrep() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep", false]], "irrep_index() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.irrep_index", false]], "irrep_labels() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.irrep_labels", false]], "is_c_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_hybrid", false]], "is_c_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_lrc", false]], "is_c_scs_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_c_scs_hybrid", false]], "is_cartesian() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_cartesian", false]], "is_done() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.is_done", false]], "is_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_gga", false]], "is_gga() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_gga", false]], "is_inverted() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_inverted", false]], "is_libxc_func() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_libxc_func", false]], "is_lrc() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_lrc", false]], "is_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.is_meta", false]], "is_meta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_meta", false]], "is_poisson() (psi4.core.fittingmetric method)": [[78, "psi4.core.FittingMetric.is_poisson", false]], "is_pure() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.is_pure", false]], "is_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.is_variable", false]], "is_x_hybrid() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_x_hybrid", false]], "is_x_lrc() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.is_x_lrc", false]], "isa": [[1779, "index-1", false]], "isotope": [[1813, "index-4", false]], "isotopes": [[1813, "index-4", false]], "isotropic_pol (pe)": [[1684, "term-ISOTROPIC_POL-PE", true]], "istop (detci)": [[1684, "term-ISTOP-DETCI", true]], "iteration (psi4.driver.convergenceerror attribute)": [[266, "psi4.driver.ConvergenceError.iteration", false]], "iteration (psi4.driver.optimizationconvergenceerror attribute)": [[270, "psi4.driver.OptimizationConvergenceError.iteration", false]], "iteration (psi4.driver.scfconvergenceerror attribute)": [[276, "psi4.driver.SCFConvergenceError.iteration", false]], "iteration (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.iteration", false]], "iteration_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.iteration_", false]], "iteration_energies (psi4.core.hf attribute)": [[84, "psi4.core.HF.iteration_energies", false]], "iterations() (psi4.core.hf method)": [[84, "psi4.core.HF.iterations", false]], "j() (psi4.core.jk method)": [[92, "psi4.core.JK.J", false]], "jk (class in psi4.core)": [[92, "psi4.core.JK", false]], "jk() (psi4.core.hf method)": [[84, "psi4.core.HF.jk", false]], "jobtype (cclambda)": [[1684, "term-JOBTYPE-CCLAMBDA", true]], "k() (psi4.core.jk method)": [[92, "psi4.core.JK.K", false]], "keywords": [[1720, "index-0", false], [1732, "index-0", false], [1741, "index-0", false], [1746, "index-0", false], [1752, "index-0", false], [1774, "index-1", false], [1780, "index-0", false], [1806, "index-0", false], [1812, "index-2", false], [1813, "index-2", false]], "keywords (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.keywords", false]], "keywords (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.keywords", false]], "keywords (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.keywords", false]], "kind (adc)": [[1684, "term-KIND-ADC", true]], "kinetic() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.kinetic", false]], "kinetic_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.kinetic_grad", false]], "kineticint (class in psi4.core)": [[93, "psi4.core.KineticInt", false]], "kwargs_lower() (in module psi4.driver.p4util)": [[359, "psi4.driver.p4util.kwargs_lower", false]], "l (psi4.core.localizer attribute)": [[97, "psi4.core.Localizer.L", false]], "label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.label", false]], "label() (psi4.core.mospace method)": [[98, "psi4.core.MOSpace.label", false]], "lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.lagrangian", false]], "laplacedenominator (class in psi4.core)": [[95, "psi4.core.LaplaceDenominator", false]], "lcc2 (+lmp2) total energy": [[1756, "psivar-LCC2-LMP2-TOTAL-ENERGY", false]], "lccd correlation energy": [[1756, "psivar-LCCD-CORRELATION-ENERGY", false]], "lccd doubles energy": [[1756, "psivar-LCCD-DOUBLES-ENERGY", false]], "lccd opposite-spin correlation energy": [[1756, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "lccd same-spin correlation energy": [[1756, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "lccd singles energy": [[1756, "psivar-LCCD-SINGLES-ENERGY", false]], "lccd total energy": [[1756, "psivar-LCCD-TOTAL-ENERGY", false]], "lccsd": [[1751, "index-1", false]], "lccsd (+lmp2) total energy": [[1756, "psivar-LCCSD-LMP2-TOTAL-ENERGY", false]], "lccsd 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"term-LEVEL_SHIFT-MCSCF", true]], "level_shift (occ)": [[1684, "term-LEVEL_SHIFT-OCC", true]], "level_shift (scf)": [[1684, "term-LEVEL_SHIFT-SCF", true]], "level_shift_cutoff (scf)": [[1684, "term-LEVEL_SHIFT_CUTOFF-SCF", true]], "levenshtein() (in module psi4.driver)": [[309, "psi4.driver.levenshtein", false]], "levenshtein() (in module psi4.driver.p4util)": [[360, "psi4.driver.p4util.levenshtein", false]], "libecpint": [[1745, "index-0", false]], "libefp": [[1762, "index-0", false]], "libint": [[1763, "index-0", false]], "libint2_configuration() (in module psi4.driver)": [[310, "psi4.driver.libint2_configuration", false]], "libint2_configuration() (in module psi4.driver.p4util)": [[361, "psi4.driver.p4util.libint2_configuration", false]], "libint2_print_out() (in module psi4.driver)": [[311, "psi4.driver.libint2_print_out", false]], "libint2_print_out() (in module psi4.driver.p4util)": [[362, "psi4.driver.p4util.libint2_print_out", false]], "libint2_solid_harmonics_ordering() (in module psi4.core)": [[214, "psi4.core.libint2_solid_harmonics_ordering", false]], "library fragments": [[1762, "index-1", false], [1762, "index-5", false]], "libxc": [[1764, "index-0", false]], "libxcfunctional (class in psi4.core)": [[96, "psi4.core.LibXCFunctional", false]], "license": [[1761, "index-2", false]], "light (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light", false]], "light_color (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.light_color", false]], "linear (ccresponse)": [[1684, "term-LINEAR-CCRESPONSE", true]], "lineq_solver (dfocc)": [[1684, "term-LINEQ_SOLVER-DFOCC", true]], "lineshape (class in psi4.driver.p4util)": [[324, "psi4.driver.p4util.Lineshape", false]], "lineshape() (psi4.driver.p4util.gaussian method)": [[322, "psi4.driver.p4util.Gaussian.lineshape", false]], "lineshape() (psi4.driver.p4util.lineshape method)": [[324, "psi4.driver.p4util.Lineshape.lineshape", false]], "lineshape() 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"term-LOCAL_CPHF_CUTOFF-CCENERGY", true]], "local_cphf_cutoff (cclambda)": [[1684, "term-LOCAL_CPHF_CUTOFF-CCLAMBDA", true]], "local_cphf_cutoff (ccresponse)": [[1684, "term-LOCAL_CPHF_CUTOFF-CCRESPONSE", true]], "local_cutoff (ccenergy)": [[1684, "term-LOCAL_CUTOFF-CCENERGY", true]], "local_cutoff (cceom)": [[1684, "term-LOCAL_CUTOFF-CCEOM", true]], "local_cutoff (cclambda)": [[1684, "term-LOCAL_CUTOFF-CCLAMBDA", true]], "local_cutoff (ccresponse)": [[1684, "term-LOCAL_CUTOFF-CCRESPONSE", true]], "local_do_singles (cceom)": [[1684, "term-LOCAL_DO_SINGLES-CCEOM", true]], "local_filter_singles (cceom)": [[1684, "term-LOCAL_FILTER_SINGLES-CCEOM", true]], "local_filter_singles (cclambda)": [[1684, "term-LOCAL_FILTER_SINGLES-CCLAMBDA", true]], "local_filter_singles (ccresponse)": [[1684, "term-LOCAL_FILTER_SINGLES-CCRESPONSE", true]], "local_ibo_condition (fisapt)": [[1684, "term-LOCAL_IBO_CONDITION-FISAPT", true]], "local_ibo_power (fisapt)": [[1684, "term-LOCAL_IBO_POWER-FISAPT", true]], 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"mbis radial moments <r^3>": [[1756, "psivar-MBIS-RADIAL-MOMENTS-R-3", false]], "mbis valence widths": [[1756, "psivar-MBIS-VALENCE-WIDTHS", false]], "mbis volume ratios": [[1756, "psivar-MBIS-VOLUME-RATIOS", false]], "mbis_d_convergence (globals)": [[1684, "term-MBIS_D_CONVERGENCE-GLOBALS", true]], "mbis_maxiter (globals)": [[1684, "term-MBIS_MAXITER-GLOBALS", true]], "mbis_pruning_scheme (globals)": [[1684, "term-MBIS_PRUNING_SCHEME-GLOBALS", true]], "mbis_radial_points (globals)": [[1684, "term-MBIS_RADIAL_POINTS-GLOBALS", true]], "mbis_spherical_points (globals)": [[1684, "term-MBIS_SPHERICAL_POINTS-GLOBALS", true]], "mcscf": [[1769, "index-0", false], [1769, "index-1", false]], "mcscf total energy": [[1756, "psivar-MCSCF-TOTAL-ENERGY", false]], "mcscf() (in module psi4.core)": [[215, "psi4.core.mcscf", false]], "mcscf_algorithm (detci)": [[1684, "term-MCSCF_ALGORITHM-DETCI", true]], "mcscf_ci_cleanup (detci)": [[1684, "term-MCSCF_CI_CLEANUP-DETCI", true]], "mcscf_diis_error_type 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"psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2 singles energy": [[1756, "psivar-MP2-SINGLES-ENERGY", false]], "mp2 singlet pair energies": [[1756, "psivar-MP2-SINGLET-PAIR-ENERGIES", false]], "mp2 total energy": [[1756, "psivar-MP2-TOTAL-ENERGY", false]], "mp2 total gradient": [[1756, "psivar-MP2-TOTAL-GRADIENT", false]], "mp2 total hessian": [[1756, "psivar-MP2-TOTAL-HESSIAN", false]], "mp2 triplet pair energies": [[1756, "psivar-MP2-TRIPLET-PAIR-ENERGIES", false]], "mp2-ccsd total energy": [[1756, "psivar-MP2-CCSD-TOTAL-ENERGY", false]], "mp2.5 correlation energy": [[1756, "psivar-MP2.5-CORRELATION-ENERGY", false]], "mp2.5 doubles energy": [[1756, "psivar-MP2.5-DOUBLES-ENERGY", false]], "mp2.5 opposite-spin correlation energy": [[1756, "psivar-MP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp2.5 same-spin correlation energy": [[1756, "psivar-MP2.5-SAME-SPIN-CORRELATION-ENERGY", false]], "mp2.5 singles energy": [[1756, "psivar-MP2.5-SINGLES-ENERGY", false]], "mp2.5 total energy": [[1756, "psivar-MP2.5-TOTAL-ENERGY", false]], "mp2_amp_type (dfocc)": [[1684, "term-MP2_AMP_TYPE-DFOCC", true]], "mp2_amps_print (ccenergy)": [[1684, "term-MP2_AMPS_PRINT-CCENERGY", true]], "mp2_ccsd_method (psimrcc)": [[1684, "term-MP2_CCSD_METHOD-PSIMRCC", true]], "mp2_guess (psimrcc)": [[1684, "term-MP2_GUESS-PSIMRCC", true]], "mp2_os_scale (ccenergy)": [[1684, "term-MP2_OS_SCALE-CCENERGY", true]], "mp2_os_scale (dfmp2)": [[1684, "term-MP2_OS_SCALE-DFMP2", true]], "mp2_os_scale (dfocc)": [[1684, "term-MP2_OS_SCALE-DFOCC", true]], "mp2_os_scale (occ)": [[1684, "term-MP2_OS_SCALE-OCC", true]], "mp2_scale_os (fnocc)": [[1684, "term-MP2_SCALE_OS-FNOCC", true]], "mp2_scale_ss (fnocc)": [[1684, "term-MP2_SCALE_SS-FNOCC", true]], "mp2_sos_scale (dfocc)": [[1684, "term-MP2_SOS_SCALE-DFOCC", true]], "mp2_sos_scale (occ)": [[1684, "term-MP2_SOS_SCALE-OCC", true]], "mp2_sos_scale2 (dfocc)": [[1684, "term-MP2_SOS_SCALE2-DFOCC", true]], "mp2_sos_scale2 (occ)": [[1684, "term-MP2_SOS_SCALE2-OCC", true]], "mp2_ss_scale (ccenergy)": [[1684, "term-MP2_SS_SCALE-CCENERGY", true]], "mp2_ss_scale (dfmp2)": [[1684, "term-MP2_SS_SCALE-DFMP2", true]], "mp2_ss_scale (dfocc)": [[1684, "term-MP2_SS_SCALE-DFOCC", true]], "mp2_ss_scale (occ)": [[1684, "term-MP2_SS_SCALE-OCC", true]], "mp2_type (globals)": [[1684, "term-MP2_TYPE-GLOBALS", true]], "mp3 correlation energy": [[1756, "psivar-MP3-CORRELATION-ENERGY", false]], "mp3 doubles energy": [[1756, "psivar-MP3-DOUBLES-ENERGY", false]], "mp3 opposite-spin correlation energy": [[1756, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "mp3 same-spin correlation energy": [[1756, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", false]], "mp3 singles energy": [[1756, "psivar-MP3-SINGLES-ENERGY", false]], "mp3 total energy": [[1756, "psivar-MP3-TOTAL-ENERGY", false]], "mp4": [[1751, "index-1", false]], "mp4 correlation energy": [[1756, "psivar-MP4-CORRELATION-ENERGY", false]], "mp4 total energy": [[1756, "psivar-MP4-TOTAL-ENERGY", false]], "mp4(sdq) correlation energy": [[1756, "psivar-MP4-SDQ-CORRELATION-ENERGY", false]], "mp4(sdq) total energy": [[1756, "psivar-MP4-SDQ-TOTAL-ENERGY", false]], "mp4(sdtq) correlation energy": [[1756, "psivar-MP4-SDTQ-CORRELATION-ENERGY", false]], "mp4(sdtq) total energy": [[1756, "psivar-MP4-SDTQ-TOTAL-ENERGY", false]], "mp4(t) correction energy": [[1756, "psivar-MP4-T-CORRECTION-ENERGY", false]], "mp_type (globals)": [[1684, "term-MP_TYPE-GLOBALS", true]], "mpn (detci)": [[1684, "term-MPN-DETCI", true]], "mpn correlation energy": [[1756, "psivar-MPn-CORRELATION-ENERGY", false]], "mpn total energy": [[1756, "psivar-MPn-TOTAL-ENERGY", false]], "mpn_order_save (detci)": [[1684, "term-MPN_ORDER_SAVE-DETCI", true]], "mpn_schmidt (detci)": [[1684, "term-MPN_SCHMIDT-DETCI", true]], "mpn_wigner (detci)": [[1684, "term-MPN_WIGNER-DETCI", true]], "mrcc": [[1772, "index-0", false]], "mrcc total energy": [[1756, "psivar-MRCC-TOTAL-ENERGY", false]], "mrcc_generate_input() (in module psi4.core)": [[216, "psi4.core.mrcc_generate_input", false]], "mrcc_level (mrcc)": [[1684, "term-MRCC_LEVEL-MRCC", true]], "mrcc_load_densities() (in module psi4.core)": [[217, "psi4.core.mrcc_load_densities", false]], "mrcc_method (mrcc)": [[1684, "term-MRCC_METHOD-MRCC", true]], "mrcc_num_doublet_roots (mrcc)": [[1684, "term-MRCC_NUM_DOUBLET_ROOTS-MRCC", true]], "mrcc_num_singlet_roots (mrcc)": [[1684, "term-MRCC_NUM_SINGLET_ROOTS-MRCC", true]], "mrcc_num_triplet_roots (mrcc)": [[1684, "term-MRCC_NUM_TRIPLET_ROOTS-MRCC", true]], "mrcc_omp_num_threads (mrcc)": [[1684, "term-MRCC_OMP_NUM_THREADS-MRCC", true]], "mrcc_restart (mrcc)": [[1684, "term-MRCC_RESTART-MRCC", true]], "mrpt total energy": [[1756, "psivar-MRPT-TOTAL-ENERGY", false]], "ms0 (detci)": [[1684, "term-MS0-DETCI", true]], "mtd 128-pole": [[1756, "psivar-mtd-128-POLE", false]], "mtd 32-pole": [[1756, "psivar-mtd-32-POLE", false]], "mtd 64-pole": [[1756, "psivar-mtd-64-POLE", false]], "mtd dipole": [[1756, "psivar-mtd-DIPOLE", false]], "mtd hexadecapole": [[1756, "psivar-mtd-HEXADECAPOLE", false]], "mtd octupole": [[1756, "psivar-mtd-OCTUPOLE", false]], "mtd quadrupole": [[1756, "psivar-mtd-QUADRUPOLE", false]], "mulliken charges": [[1756, "psivar-MULLIKEN-CHARGES", false]], "multi-configurational self-consistent-field": [[1769, "index-2", false]], "multiple fragments": [[1813, "index-7", false]], "multiple in input file": [[1813, "index-1", false]], "multiple within molecule": [[1710, "index-1", false]], "multiplicity": [[1813, "index-2", false]], "multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.multiplicity", false]], "multipole_grad() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.multipole_grad", false]], "multipoleint (class in psi4.core)": [[107, "psi4.core.MultipoleInt", false]], "multipolesymmetry (class in psi4.core)": [[108, "psi4.core.MultipoleSymmetry", false]], "multireference": [[1809, "index-0", false]], "n() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.n", false]], "n() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.n", false]], "n_ecp_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_core", false]], "n_ecp_shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_ecp_shell_on_center", false]], "n_frozen_core() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.n_frozen_core", false]], "nablaint (class in psi4.core)": [[109, "psi4.core.NablaInt", false]], "nallatom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nallatom", false]], "nalpha() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalpha", false]], "nalphapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nalphapi", false]], "name (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.name", false]], "name (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.name", false]], "name (psi4.core.dimension attribute)": [[64, "psi4.core.Dimension.name", false]], "name (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.name", false]], "name (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.name", false]], "name (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.name", false]], "name (psi4.core.intvector attribute)": [[88, "psi4.core.IntVector.name", false]], "name (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.name", false]], "name (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.name", false]], "name (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.name", false]], "name (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.name", false]], "name (psi4.core.vector attribute)": [[148, "psi4.core.Vector.name", false]], "name() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.name", false]], "name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.name", false]], "name() (psi4.core.functional method)": [[80, "psi4.core.Functional.name", false]], "name() (psi4.core.jk method)": [[92, "psi4.core.JK.name", false]], "name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.name", false]], "name() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.name", false]], "name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.name", false]], "name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.name", false]], "nao() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nao", false]], "nat_orbs (detci)": [[1684, "term-NAT_ORBS-DETCI", true]], "nat_orbs (dfocc)": [[1684, "term-NAT_ORBS-DFOCC", true]], "nat_orbs (fnocc)": [[1684, "term-NAT_ORBS-FNOCC", true]], "nat_orbs (occ)": [[1684, "term-NAT_ORBS-OCC", true]], "nat_orbs_t2 (sapt)": [[1684, "term-NAT_ORBS_T2-SAPT", true]], "nat_orbs_t3 (sapt)": [[1684, "term-NAT_ORBS_T3-SAPT", true]], "nat_orbs_v4 (sapt)": [[1684, "term-NAT_ORBS_V4-SAPT", true]], "natom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.natom", false]], "naux (cc)": [[1756, "psivar-NAUX-CC", false]], "naux (scf)": [[1756, "psivar-NAUX-SCF", false]], "nbeta() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbeta", false]], "nbetapi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nbetapi", false]], "nbf() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.nbf", false]], "nbf() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.nbf", false]], "nblocks() (psi4.core.vbase method)": [[147, "psi4.core.VBase.nblocks", false]], "nbodies_per_mc_level (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.nbodies_per_mc_level", false]], "nbody (i, j, ..., k)@(a, b, ..., c) total energy": [[1756, "psivar-NBODY-i-j-...-k-a-b-...-c-TOTAL-ENERGY", false]], "nbody number": [[1756, "psivar-NBODY-NUMBER", false]], "nbody() (in 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"term-NEW_TRIPLES-CCEOM", true]], "new_vector() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.new_vector", false]], "next() (psi4.core.aoshellcombinationsiterator method)": [[3, "psi4.core.AOShellCombinationsIterator.next", false]], "nfragments (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.nfragments", false]], "nfragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nfragments", false]], "nfrzc() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nfrzc", false]], "nfunction (psi4.core.gaussianshell attribute)": [[81, "psi4.core.GaussianShell.nfunction", false]], "ngamma() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.ngamma", false]], "nil() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.nil", false]], "nirrep() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.nirrep", false]], "nirrep() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.nirrep", false]], "nirrep() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.nirrep", false]], "nirrep() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.nirrep", false]], "nirrep() (psi4.core.orbitalspace method)": [[115, "psi4.core.OrbitalSpace.nirrep", false]], "nirrep() (psi4.core.vector method)": [[148, "psi4.core.Vector.nirrep", false]], "nirrep() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nirrep", false]], "nl_dispersion_parameters (scf)": [[1684, "term-NL_DISPERSION_PARAMETERS-SCF", true]], "nmo() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nmo", false]], "nmopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nmopi", false]], "no_dfile (detci)": [[1684, "term-NO_DFILE-DETCI", true]], "no_occupations() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.no_occupations", false]], "no_reorient": [[1813, "index-2", false]], "no_singles (psimrcc)": [[1684, "term-NO_SINGLES-PSIMRCC", true]], "nocp (psi4.driver.driver_nbody.bsseenum attribute)": [[1774, "psi4.driver.driver_nbody.BsseEnum.nocp", false]], "norm() (psi4.core.civector method)": [[12, "psi4.core.CIVector.norm", false]], "norm() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.norm", false]], "normal_modes_write (findif)": [[1684, "term-NORMAL_MODES_WRITE-FINDIF", true]], "normalize() (psi4.core.vector3 method)": [[149, "psi4.core.Vector3.normalize", false]], "normalized (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.Normalized", false]], "np (psi4.core.civector attribute)": [[12, "psi4.core.CIVector.np", false]], "np (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.np", false]], "np (psi4.core.vector attribute)": [[148, "psi4.core.Vector.np", false]], "np_read() (psi4.core.matrix class method)": [[100, "psi4.core.Matrix.np_read", false]], "np_read() (psi4.core.vector class method)": [[148, 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"psi4.core.Wavefunction.nso", false]], "nsopi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.nsopi", false]], "nuclear repulsion energy": [[1756, "psivar-NUCLEAR-REPULSION-ENERGY", false]], "nuclear() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.nuclear", false]], "nuclear_dipole() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_dipole", false]], "nuclear_repulsion_energy() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy", false]], "nuclear_repulsion_energy_deriv1() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy_deriv1", false]], "nuclear_repulsion_energy_deriv2() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.nuclear_repulsion_energy_deriv2", false]], "num_amps_print (ccenergy)": [[1684, "term-NUM_AMPS_PRINT-CCENERGY", true]], "num_amps_print (cceom)": [[1684, "term-NUM_AMPS_PRINT-CCEOM", true]], "num_amps_print (cclambda)": [[1684, "term-NUM_AMPS_PRINT-CCLAMBDA", true]], "num_amps_print (ccresponse)": [[1684, "term-NUM_AMPS_PRINT-CCRESPONSE", true]], "num_amps_print (detci)": [[1684, "term-NUM_AMPS_PRINT-DETCI", true]], "num_core_orbitals (adc)": [[1684, "term-NUM_CORE_ORBITALS-ADC", true]], "num_dets_print (detci)": [[1684, "term-NUM_DETS_PRINT-DETCI", true]], "num_frozen_docc (globals)": [[1684, "term-NUM_FROZEN_DOCC-GLOBALS", true]], "num_frozen_uocc (globals)": [[1684, "term-NUM_FROZEN_UOCC-GLOBALS", true]], "num_guesses (adc)": [[1684, "term-NUM_GUESSES-ADC", true]], "num_init_vecs (detci)": [[1684, "term-NUM_INIT_VECS-DETCI", true]], "num_roots (detci)": [[1684, "term-NUM_ROOTS-DETCI", true]], "numint_grid() (psi4.core.numinthelper method)": [[110, "psi4.core.NumIntHelper.numint_grid", false]], "numinthelper (class in psi4.core)": [[110, "psi4.core.NumIntHelper", false]], "numpy": [[1777, "index-0", false]], "occ() (in module psi4.core)": [[218, "psi4.core.occ", false]], "occ() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.occ", false]], "occ_orbs_print (dfocc)": [[1684, "term-OCC_ORBS_PRINT-DFOCC", true]], "occ_orbs_print (occ)": [[1684, "term-OCC_ORBS_PRINT-OCC", true]], "occ_percentage (fnocc)": [[1684, "term-OCC_PERCENTAGE-FNOCC", true]], "occ_tolerance (fnocc)": [[1684, "term-OCC_TOLERANCE-FNOCC", true]], "occ_tolerance (sapt)": [[1684, "term-OCC_TOLERANCE-SAPT", true]], "occupation_a() (psi4.core.hf method)": [[84, "psi4.core.HF.occupation_a", false]], "occupation_b() (psi4.core.hf method)": [[84, "psi4.core.HF.occupation_b", false]], "ocepa(0) correlation energy": [[1756, "psivar-OCEPA-0-CORRELATION-ENERGY", false]], "ocepa(0) total energy": [[1756, "psivar-OCEPA-0-TOTAL-ENERGY", false]], "odc_guess (dct)": [[1684, "term-ODC_GUESS-DCT", true]], "oeprop": [[1779, "index-0", false]], "oeprop (class in psi4.core)": [[111, "psi4.core.OEProp", false]], "oeprop (dfocc)": [[1684, "term-OEPROP-DFOCC", true]], "oeprop (occ)": [[1684, "term-OEPROP-OCC", true]], "oeprop() (in module psi4.driver)": [[317, "psi4.driver.oeprop", false]], "oeprop() (in module psi4.driver.p4util)": [[365, "psi4.driver.p4util.oeprop", false]], "offdiagonal_ccsd_t (psimrcc)": [[1684, "term-OFFDIAGONAL_CCSD_T-PSIMRCC", true]], "olccd": [[1778, "index-1", false], [1778, "index-5", false]], "olccd correlation energy": [[1756, "psivar-OLCCD-CORRELATION-ENERGY", false]], "olccd doubles energy": [[1756, "psivar-OLCCD-DOUBLES-ENERGY", false]], "olccd opposite-spin correlation energy": [[1756, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "olccd reference correction energy": [[1756, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", false]], "olccd same-spin correlation energy": [[1756, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", false]], "olccd singles energy": [[1756, "psivar-OLCCD-SINGLES-ENERGY", false]], "olccd total energy": [[1756, "psivar-OLCCD-TOTAL-ENERGY", false]], "omega (ccresponse)": [[1684, "term-OMEGA-CCRESPONSE", true]], "omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.omega", false]], "omega_erf (mints)": [[1684, "term-OMEGA_ERF-MINTS", true]], "omp2": [[1778, "index-1", false], [1778, "index-2", false]], "omp2 correlation energy": [[1756, "psivar-OMP2-CORRELATION-ENERGY", false]], "omp2 doubles energy": [[1756, "psivar-OMP2-DOUBLES-ENERGY", false]], "omp2 opposite-spin correlation energy": [[1756, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2 reference correction energy": [[1756, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", false]], "omp2 same-spin correlation energy": [[1756, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "omp2 total energy": [[1756, "psivar-OMP2-TOTAL-ENERGY", false]], "omp2.5": [[1778, "index-4", false]], "omp2.5 correlation energy": [[1756, "psivar-OMP2.5-CORRELATION-ENERGY", false]], "omp2.5 doubles energy": [[1756, "psivar-OMP2.5-DOUBLES-ENERGY", false]], "omp2.5 opposite-spin correlation energy": [[1756, "psivar-OMP2.5-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "omp2.5 reference 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false], [1224, "index-0", false], [1240, "index-0", false], [1684, "index-0", false], [1684, "index-1", false], [1723, "index-9", false], [1747, "envvar-OMP_NUM_THREADS", false], [1747, "index-14", false], [1747, "index-7", false]], "one-electron energy": [[1756, "psivar-ONE-ELECTRON-ENERGY", false]], "one_electron_integrals() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.one_electron_integrals", false]], "onebodyaoint (class in psi4.core)": [[112, "psi4.core.OneBodyAOInt", false]], "onebodysoint (class in psi4.core)": [[113, "psi4.core.OneBodySOInt", false]], "onel_hx() (psi4.core.hf method)": [[84, "psi4.core.HF.onel_Hx", false]], "onepdm (dfmp2)": [[1684, "term-ONEPDM-DFMP2", true]], "onepot_grid_read (scf)": [[1684, "term-ONEPOT_GRID_READ-SCF", true]], "oo_scale (dfocc)": [[1684, "term-OO_SCALE-DFOCC", true]], "opdm (dct)": [[1684, "term-OPDM-DCT", true]], "opdm (detci)": [[1684, "term-OPDM-DETCI", true]], "opdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.opdm", false]], "opdm_only (ccdensity)": [[1684, "term-OPDM_ONLY-CCDENSITY", true]], "opdm_relax (ccdensity)": [[1684, "term-OPDM_RELAX-CCDENSITY", true]], "opdm_relax (dfmp2)": [[1684, "term-OPDM_RELAX-DFMP2", true]], "open() (psi4.core.io method)": [[86, "psi4.core.IO.open", false]], "open_check() (psi4.core.io method)": [[86, "psi4.core.IO.open_check", false]], "operate() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.operate", false]], "opt()": [[1780, "index-0", false]], "opt() (in module psi4.driver)": [[318, "psi4.driver.opt", false]], "opt_coordinates (optking)": [[1684, "term-OPT_COORDINATES-OPTKING", true]], "opt_method (dfocc)": [[1684, "term-OPT_METHOD-DFOCC", true]], "opt_method (occ)": [[1684, "term-OPT_METHOD-OCC", true]], "opt_restart (optking)": [[1684, "term-OPT_RESTART-OPTKING", true]], "opt_type (optking)": [[1684, "term-OPT_TYPE-OPTKING", true]], "optimization iterations": [[1756, "psivar-OPTIMIZATION-ITERATIONS", false]], "optimizationconvergenceerror": [[270, "psi4.driver.OptimizationConvergenceError", false]], "optimize()": [[1780, "index-0", false]], "optimize() (in module psi4.driver)": [[319, "psi4.driver.optimize", false]], "optimize_geometric() (in module psi4.driver)": [[320, "psi4.driver.optimize_geometric", false]], "option_exists_in_module() (in module psi4.core)": [[219, "psi4.core.option_exists_in_module", false]], "options (class in psi4.core)": [[114, "psi4.core.Options", false]], "options() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.options", false]], "options_to_python() (in module psi4.core)": [[220, "psi4.core.options_to_python", false]], "optionsstate (class in psi4.driver.p4util)": [[327, "psi4.driver.p4util.OptionsState", false]], "optionsstatecm() (in module psi4.driver.p4util)": [[328, "psi4.driver.p4util.OptionsStateCM", false]], "optionstate (class in psi4.driver.p4util)": [[326, "psi4.driver.p4util.OptionState", false]], "orb_opt (dfocc)": [[1684, "term-ORB_OPT-DFOCC", true]], "orb_opt (occ)": [[1684, "term-ORB_OPT-OCC", true]], "orb_resp_solver (dfocc)": [[1684, "term-ORB_RESP_SOLVER-DFOCC", true]], "orb_resp_solver (occ)": [[1684, "term-ORB_RESP_SOLVER-OCC", true]], "orbital-optimized methods": [[1778, "index-1", false]], "orbital-optimized methods, olccd": [[1778, "index-0", false]], "orbital-optimized methods, omp2": [[1778, "index-0", false]], "orbital-optimized methods, omp2.5": [[1778, "index-0", false]], "orbital-optimized methods, omp3": [[1778, "index-0", false]], "orbital_level_shift (dct)": [[1684, "term-ORBITAL_LEVEL_SHIFT-DCT", true]], "orbital_values() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.orbital_values", false]], "orbitals_write (scf)": [[1684, "term-ORBITALS_WRITE-SCF", true]], "orbitalspace (class in psi4.core)": [[115, "psi4.core.OrbitalSpace", false]], "order() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.order", false]], "order() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.order", false]], "ordered_params (psi4.driver.empiricaldispersion attribute)": [[267, "psi4.driver.EmpiricalDispersion.ordered_params", false]], "ordered_params (psi4.driver.procrouting.empirical_dispersion.empiricaldispersion attribute)": [[1739, "psi4.driver.procrouting.empirical_dispersion.EmpiricalDispersion.ordered_params", false]], "oremp": [[1778, "index-6", false]], "oremp2 correlation energy": [[1756, "psivar-OREMP2-CORRELATION-ENERGY", false]], "oremp2 doubles energy": [[1756, "psivar-OREMP2-DOUBLES-ENERGY", false]], "oremp2 opposite-spin correlation energy": [[1756, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "oremp2 reference correction energy": [[1756, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", false]], "oremp2 same-spin correlation energy": [[1756, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "oremp2 singles energy": [[1756, "psivar-OREMP2-SINGLES-ENERGY", false]], "oremp2 total energy": [[1756, "psivar-OREMP2-TOTAL-ENERGY", false]], "orientation() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.orientation", false]], "orientation_fixed() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.orientation_fixed", false]], "origin (psi4.core.onebodyaoint attribute)": [[112, "psi4.core.OneBodyAOInt.origin", false]], "original_coef() (psi4.core.gaussianshell method)": [[81, "psi4.core.GaussianShell.original_coef", false]], "orth_type (dfocc)": [[1684, "term-ORTH_TYPE-DFOCC", true]], "orth_type (occ)": [[1684, "term-ORTH_TYPE-OCC", true]], "os_scale (occ)": [[1684, "term-OS_SCALE-OCC", true]], "outfile_name() (in module psi4.core)": [[221, "psi4.core.outfile_name", false]], "output": [[1720, "index-2", false], [1732, "index-3", false], [1782, "index-4", false], [1817, "index-5", false], [1823, "index-1", false]], "overlap() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.overlap", false]], "overlap_3c() 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[[271, "psi4.driver.ParsingError", false]], "partial_cholesky_factorize() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.partial_cholesky_factorize", false]], "partition() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.partition", false]], "pasturerequirederror": [[272, "psi4.driver.PastureRequiredError", false]], "path": [[2, "index-1", false], [106, "index-0", false], [1718, "index-1", false], [1718, "index-10", false], [1718, "index-11", false], [1718, "index-12", false], [1718, "index-13", false], [1718, "index-14", false], [1718, "index-15", false], [1718, "index-16", false], [1718, "index-17", false], [1718, "index-18", false], [1718, "index-19", false], [1718, "index-24", false], [1718, "index-25", false], [1718, "index-26", false], [1718, "index-5", false], [1718, "index-7", false], [1723, "index-1", false], [1723, "index-3", false], [1723, "index-5", false], [1723, "index-7", false], [1728, "index-0", false], [1728, "index-3", false], [1728, "index-5", false], [1728, "index-6", false], [1728, "index-7", false], [1739, "index-1", false], [1747, "envvar-PATH", false], [1747, "index-17", false], [1747, "index-18", false], [1754, "index-1", false], [1754, "index-2", false], [1772, "index-1", false]], "pbs queueing system": [[1747, "index-9", false]], "pcg_beta_type (dfocc)": [[1684, "term-PCG_BETA_TYPE-DFOCC", true]], "pcg_beta_type (occ)": [[1684, "term-PCG_BETA_TYPE-OCC", true]], "pcg_convergence (dfocc)": [[1684, "term-PCG_CONVERGENCE-DFOCC", true]], "pcg_convergence (occ)": [[1684, "term-PCG_CONVERGENCE-OCC", true]], "pcg_maxiter (dfocc)": [[1684, "term-PCG_MAXITER-DFOCC", true]], "pcg_maxiter (occ)": [[1684, "term-PCG_MAXITER-OCC", true]], "pcm": [[1734, "index-0", false], [1783, "index-0", false], [1783, "index-1", false]], "pcm (globals)": [[1684, "term-PCM-GLOBALS", true]], "pcm polarization energy": [[1756, "psivar-PCM-POLARIZATION-ENERGY", false]], "pcm_cc_type (pcm)": [[1684, "term-PCM_CC_TYPE-PCM", true]], "pcm_enabled() 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"pitzer_to_ci_order_twoel() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.pitzer_to_ci_order_twoel", false]], "pk_all_nonsym (scf)": [[1684, "term-PK_ALL_NONSYM-SCF", true]], "pk_max_buckets (scf)": [[1684, "term-PK_MAX_BUCKETS-SCF", true]], "plan() (psi4.driver.atomiccomputer method)": [[265, "psi4.driver.AtomicComputer.plan", false]], "plan() (psi4.driver.driver_cbs.compositecomputer method)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.plan", false]], "plan() (psi4.driver.driver_findif.finitedifferencecomputer method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.plan", false]], "plan() (psi4.driver.driver_nbody.manybodycomputer method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.plan", false]], "plan() (psi4.driver.task_base.basecomputer method)": [[1748, "psi4.driver.task_base.BaseComputer.plan", false]], "play() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.play", false]], "plugin": [[1787, "index-0", false]], 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false]], "presort_so_tei() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.presort_so_tei", false]], "primitivetype (class in psi4.core)": [[122, "psi4.core.PrimitiveType", false]], "print (cphf)": [[1684, "term-PRINT-CPHF", true]], "print (efp)": [[1684, "term-PRINT-EFP", true]], "print (globals)": [[1684, "term-PRINT-GLOBALS", true]], "print (sapt)": [[1684, "term-PRINT-SAPT", true]], "print() (psi4.core.moleculargrid method)": [[105, "psi4.core.MolecularGrid.print", false]], "print() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.print", false]], "print_atom_vector() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.print_atom_vector", false]], "print_basis (scf)": [[1684, "term-PRINT_BASIS-SCF", true]], "print_bond_angles() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_bond_angles", false]], "print_cluster() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_cluster", false]], "print_density_threshold() 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"psi4.core.Options.print_global_options", false]], "print_gradient() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_gradient", false]], "print_header() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.print_header", false]], "print_header() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.print_header", false]], "print_header() (psi4.core.hf method)": [[84, "psi4.core.HF.print_header", false]], "print_header() (psi4.core.jk method)": [[92, "psi4.core.JK.print_header", false]], "print_header() (psi4.core.vbase method)": [[147, "psi4.core.VBase.print_header", false]], "print_hessian() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.print_hessian", false]], "print_in_input_format() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_in_input_format", false]], "print_module_options() (psi4.core.options method)": [[114, "psi4.core.Options.print_module_options", false]], "print_molden_vibs() (in module psi4.driver.qcdb.vib)": [[388, "psi4.driver.qcdb.vib.print_molden_vibs", false]], "print_mos (scf)": [[1684, "term-PRINT_MOS-SCF", true]], "print_noons (globals)": [[1684, "term-PRINT_NOONS-GLOBALS", true]], "print_opt_params (optking)": [[1684, "term-PRINT_OPT_PARAMS-OPTKING", true]], "print_options() (in module psi4.core)": [[228, "psi4.core.print_options", false]], "print_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.print_orbitals", false]], "print_out() (in module psi4.core)": [[229, "psi4.core.print_out", false]], "print_out() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.print_out", false]], "print_out() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.print_out", false]], "print_out() (psi4.core.cdsalc method)": [[15, "psi4.core.CdSalc.print_out", false]], "print_out() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.print_out", false]], "print_out() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.print_out", false]], "print_out() (psi4.core.dispersion 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"psi4.core.Vector.print_out", false]], "print_out() (psi4.driver.empiricaldispersion method)": [[267, "psi4.driver.EmpiricalDispersion.print_out", false]], "print_out_in_angstrom() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_angstrom", false]], "print_out_in_bohr() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_in_bohr", false]], "print_out_of_planes() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_out_of_planes", false]], "print_preiterations() (psi4.core.hf method)": [[84, "psi4.core.HF.print_preiterations", false]], "print_rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.print_rotational_constants", false]], "print_stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.print_stability_analysis", false]], "print_tensor_pqq() (psi4.core.fdds_dispersion method)": [[75, "psi4.core.FDDS_Dispersion.print_tensor_pqQ", false]], "print_trailer() (psi4.core.fisapt method)": [[76, 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"term-REFERENCE_SYM-DETCI", true]], "reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.reference_wavefunction", false]], "refresh() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.refresh", false]], "reg_param (dfocc)": [[1684, "term-REG_PARAM-DFOCC", true]], "register_composite_function() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.register_composite_function", false]], "register_xtpl_function() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.register_xtpl_function", false]], "regularization (dfocc)": [[1684, "term-REGULARIZATION-DFOCC", true]], "rehash() (psi4.core.io method)": [[86, "psi4.core.IO.rehash", false]], "reinterpret_coordentry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reinterpret_coordentry", false]], "relativistic": [[1816, "index-0", false]], "relativistic (globals)": [[1684, "term-RELATIVISTIC-GLOBALS", true]], "relax_guess_orbitals (dct)": [[1684, "term-RELAX_GUESS_ORBITALS-DCT", true]], "relaxed (occ)": [[1684, "term-RELAXED-OCC", true]], "remove() (psi4.core.bsvec method)": [[5, "psi4.core.BSVec.remove", false]], "remove_symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.remove_symmetry", false]], "remp2 correlation energy": [[1756, "psivar-REMP2-CORRELATION-ENERGY", false]], "remp2 doubles energy": [[1756, "psivar-REMP2-DOUBLES-ENERGY", false]], "remp2 opposite-spin correlation energy": [[1756, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", false]], "remp2 same-spin correlation energy": [[1756, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", false]], "remp2 singles energy": [[1756, "psivar-REMP2-SINGLES-ENERGY", false]], "remp2 total energy": [[1756, "psivar-REMP2-TOTAL-ENERGY", false]], "remp_a (dfocc)": [[1684, "term-REMP_A-DFOCC", true]], "remp_a (occ)": [[1684, "term-REMP_A-OCC", true]], "reopen_outfile() (in module psi4.core)": [[234, "psi4.core.reopen_outfile", false]], "repl_otf (detci)": [[1684, "term-REPL_OTF-DETCI", true]], "reset_ci_h0block() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.reset_ci_H0block", false]], "reset_occ_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.reset_occ_", false]], "reset_occupation() (psi4.core.hf method)": [[84, "psi4.core.HF.reset_occupation", false]], "reset_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.reset_point_group", false]], "reset_so_int() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.reset_so_int", false]], "residue() (psi4.driver.p4util.solverengine method)": [[329, "psi4.driver.p4util.SolverEngine.residue", false]], "response_algorithm (dct)": [[1684, "term-RESPONSE_ALGORITHM-DCT", true]], "restart": [[1747, "index-0", false]], "restart (ccenergy)": [[1684, "term-RESTART-CCENERGY", true]], "restart (cclambda)": [[1684, "term-RESTART-CCLAMBDA", true]], "restart (ccresponse)": [[1684, "term-RESTART-CCRESPONSE", true]], "restart (detci)": [[1684, "term-RESTART-DETCI", true]], "restart_eom_cc3 (cceom)": [[1684, "term-RESTART_EOM_CC3-CCEOM", true]], "restore() (psi4.driver.p4util.optionsstate method)": [[327, "psi4.driver.p4util.OptionsState.restore", false]], "restore() (psi4.driver.p4util.optionstate method)": [[326, "psi4.driver.p4util.OptionState.restore", false]], "restricted_docc (globals)": [[1684, "term-RESTRICTED_DOCC-GLOBALS", true]], "restricted_uocc (globals)": [[1684, "term-RESTRICTED_UOCC-GLOBALS", true]], "result (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result", false]], "result_id (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.result_id", false]], "results_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.results_list", false]], "return_total_data (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.return_total_data", false]], "revoke_global_option_changed() (in module psi4.core)": [[235, "psi4.core.revoke_global_option_changed", false]], "revoke_local_option_changed() (in module psi4.core)": [[236, "psi4.core.revoke_local_option_changed", false]], "rfo_follow_root (optking)": [[1684, "term-RFO_FOLLOW_ROOT-OPTKING", true]], "rfo_normalization_max (optking)": [[1684, "term-RFO_NORMALIZATION_MAX-OPTKING", true]], "rfo_root (optking)": [[1684, "term-RFO_ROOT-OPTKING", true]], "rhf (class in psi4.core)": [[128, "psi4.core.RHF", false]], "rhf_energy() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.rhf_energy", false]], "rhf_triplets (cceom)": [[1684, "term-RHF_TRIPLETS-CCEOM", true]], "right (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.right", false]], "rksfunctions (class in psi4.core)": [[129, "psi4.core.RKSFunctions", false]], "rms() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rms", false]], "rms_disp_g_convergence (optking)": [[1684, "term-RMS_DISP_G_CONVERGENCE-OPTKING", true]], "rms_force_g_convergence (optking)": [[1684, "term-RMS_FORCE_G_CONVERGENCE-OPTKING", true]], "rms_mograd_convergence (dfocc)": [[1684, "term-RMS_MOGRAD_CONVERGENCE-DFOCC", true]], "rms_mograd_convergence (occ)": [[1684, "term-RMS_MOGRAD_CONVERGENCE-OCC", true]], "rohf (class in psi4.core)": [[130, "psi4.core.ROHF", false]], "roots_per_irrep (adc)": [[1684, "term-ROOTS_PER_IRREP-ADC", true]], "roots_per_irrep (ccdensity)": [[1684, "term-ROOTS_PER_IRREP-CCDENSITY", true]], "roots_per_irrep (cceom)": [[1684, "term-ROOTS_PER_IRREP-CCEOM", true]], "roots_per_irrep (cclambda)": [[1684, "term-ROOTS_PER_IRREP-CCLAMBDA", true]], "rotate_columns() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rotate_columns", false]], "rotate_mcscf_integrals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.rotate_mcscf_integrals", false]], "rotate_mo_angle (mcscf)": [[1684, "term-ROTATE_MO_ANGLE-MCSCF", true]], "rotate_mo_irrep (mcscf)": [[1684, "term-ROTATE_MO_IRREP-MCSCF", true]], "rotate_mo_p (mcscf)": [[1684, "term-ROTATE_MO_P-MCSCF", true]], "rotate_mo_q (mcscf)": [[1684, "term-ROTATE_MO_Q-MCSCF", true]], "rotate_n() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_n", false]], "rotate_orbitals() (psi4.core.hf method)": [[84, "psi4.core.HF.rotate_orbitals", false]], "rotate_theta() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.rotate_theta", false]], "rotational_constants() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_constants", false]], "rotational_symmetry_number (thermo)": [[1684, "term-ROTATIONAL_SYMMETRY_NUMBER-THERMO", true]], "rotational_symmetry_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotational_symmetry_number", false]], "rotor_type() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.rotor_type", false]], "rowdim() (psi4.core.dpdbuf4 method)": [[183, "psi4.core.dpdbuf4.rowdim", false]], "rowdim() (psi4.core.dpdfile2 method)": [[184, "psi4.core.dpdfile2.rowdim", false]], "rowdim() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rowdim", false]], "rows() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.rows", false]], "rpa": [[1821, "index-0", false]], "rsrfo_alpha_max (optking)": [[1684, "term-RSRFO_ALPHA_MAX-OPTKING", true]], "run_ccsd (fnocc)": [[1684, "term-RUN_CCSD-FNOCC", true]], "run_cctransort (cctransort)": [[1684, "term-RUN_CCTRANSORT-CCTRANSORT", true]], "run_cepa (fnocc)": [[1684, "term-RUN_CEPA-FNOCC", true]], "run_cfour() (in module psi4.driver.procrouting.interface_cfour)": [[1723, "psi4.driver.procrouting.interface_cfour.run_cfour", false]], "run_dftd3() (in module qcdb.molecule)": [[1739, "qcdb.Molecule.run_dftd3", false]], "run_dftd3() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd3", false]], "run_dftd4() (in module qcdb.molecule)": [[1739, "qcdb.Molecule.run_dftd4", false]], "run_dftd4() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_dftd4", false]], "run_gcp() (in module qcdb.molecule)": [[1754, "qcdb.Molecule.run_gcp", false]], "run_gcp() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.run_gcp", false]], "run_mp2 (fnocc)": [[1684, "term-RUN_MP2-FNOCC", true]], "run_mp3 (fnocc)": [[1684, "term-RUN_MP3-FNOCC", true]], "run_mp4 (fnocc)": [[1684, "term-RUN_MP4-FNOCC", true]], "s (detci)": [[1684, "term-S-DETCI", true]], "s (psi4.core.aoshellcombinationsiterator attribute)": [[3, "psi4.core.AOShellCombinationsIterator.s", false]], "s() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.S", false]], "s6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s6", false]], "s8() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.s8", false]], "s_cholesky_tolerance (scf)": [[1684, "term-S_CHOLESKY_TOLERANCE-SCF", true]], "s_cut (dlpno)": [[1684, "term-S_CUT-DLPNO", true]], "s_orthogonalization (scf)": [[1684, "term-S_ORTHOGONALIZATION-SCF", true]], "s_tolerance (scf)": [[1684, "term-S_TOLERANCE-SCF", true]], "sad_ (psi4.core.hf attribute)": [[84, "psi4.core.HF.sad_", false]], "sad_chol_tolerance (scf)": [[1684, "term-SAD_CHOL_TOLERANCE-SCF", true]], "sad_d_convergence (scf)": [[1684, "term-SAD_D_CONVERGENCE-SCF", true]], "sad_e_convergence (scf)": [[1684, "term-SAD_E_CONVERGENCE-SCF", true]], "sad_frac_occ (scf)": [[1684, "term-SAD_FRAC_OCC-SCF", true]], "sad_maxiter (scf)": [[1684, "term-SAD_MAXITER-SCF", true]], "sad_print (scf)": [[1684, "term-SAD_PRINT-SCF", true]], "sad_scf_type (scf)": [[1684, "term-SAD_SCF_TYPE-SCF", true]], "sad_spin_average (scf)": [[1684, "term-SAD_SPIN_AVERAGE-SCF", true]], "sadguess (class in psi4.core)": [[131, "psi4.core.SADGuess", false]], "salc_name() (psi4.core.cdsalclist method)": [[16, "psi4.core.CdSalcList.salc_name", false]], "salccomponent (class in psi4.core)": [[134, "psi4.core.SalcComponent", false]], "same_a_b_dens() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_dens", false]], "same_a_b_orbs() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.same_a_b_orbs", false]], "sanitize_method() (in module psi4.driver)": [[391, "psi4.driver.sanitize_method", false]], "sanitize_method() (in module psi4.driver.p4util)": [[373, "psi4.driver.p4util.sanitize_method", false]], "sanitize_name() (in module psi4.driver)": [[392, "psi4.driver.sanitize_name", false]], "sapgau_basis (scf)": [[1684, "term-SAPGAU_BASIS-SCF", true]], "sapt": [[1817, "index-0", false], [1817, "index-1", false], [1817, "index-2", false], [1817, "index-3", false], [1817, "index-4", false], [1817, "index-5", false]], "sapt (scf)": [[1684, "term-SAPT-SCF", true]], "sapt alpha": [[1756, "psivar-SAPT-ALPHA", false]], "sapt ct energy": [[1756, "psivar-SAPT-CT-ENERGY", false]], "sapt disp energy": [[1756, "psivar-SAPT-DISP-ENERGY", false]], "sapt disp2(ccd) energy": [[1756, "psivar-SAPT-DISP2-CCD-ENERGY", false]], "sapt disp20 energy": [[1756, "psivar-SAPT-DISP20-ENERGY", false]], "sapt disp21 energy": [[1756, "psivar-SAPT-DISP21-ENERGY", false]], "sapt disp22(s)(ccd) energy": [[1756, "psivar-SAPT-DISP22-S-CCD-ENERGY", false]], "sapt disp22(sdq) energy": [[1756, "psivar-SAPT-DISP22-SDQ-ENERGY", false]], "sapt disp22(t) energy": [[1756, "psivar-SAPT-DISP22-T-ENERGY", false]], "sapt disp22(t)(ccd) energy": [[1756, "psivar-SAPT-DISP22-T-CCD-ENERGY", false]], "sapt disp30 energy": [[1756, "psivar-SAPT-DISP30-ENERGY", false]], "sapt elst energy": [[1756, "psivar-SAPT-ELST-ENERGY", false]], "sapt elst extern-extern energy": [[1756, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", false]], "sapt elst10,r energy": [[1756, "psivar-SAPT-ELST10-R-ENERGY", false]], "sapt elst12,r energy": [[1756, "psivar-SAPT-ELST12-R-ENERGY", false]], "sapt elst13,r energy": [[1756, "psivar-SAPT-ELST13-R-ENERGY", false]], "sapt energy": [[1756, "psivar-SAPT-ENERGY", false]], "sapt est.disp22(t) energy": [[1756, "psivar-SAPT-EST.DISP22-T-ENERGY", false]], "sapt est.disp22(t)(ccd) energy": [[1756, "psivar-SAPT-EST.DISP22-T-CCD-ENERGY", false]], "sapt exch energy": [[1756, "psivar-SAPT-EXCH-ENERGY", false]], "sapt exch-disp20 energy": [[1756, "psivar-SAPT-EXCH-DISP20-ENERGY", false]], "sapt exch-disp20(s^inf) energy": [[1756, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", false]], "sapt exch-disp30 energy": [[1756, "psivar-SAPT-EXCH-DISP30-ENERGY", false]], "sapt exch-ind-disp30 energy": [[1756, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", false]], "sapt exch-ind20,r energy": [[1756, "psivar-SAPT-EXCH-IND20-R-ENERGY", false]], "sapt exch-ind20,u energy": [[1756, "psivar-SAPT-EXCH-IND20-U-ENERGY", false]], "sapt exch-ind22 energy": [[1756, "psivar-SAPT-EXCH-IND22-ENERGY", false]], "sapt exch-ind30(s^inf) energy": [[1756, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", false]], "sapt exch-ind30,r energy": [[1756, "psivar-SAPT-EXCH-IND30-R-ENERGY", false]], "sapt exch-ind30,r(s^inf) energy": [[1756, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", false]], "sapt exch10 energy": [[1756, "psivar-SAPT-EXCH10-ENERGY", false]], "sapt exch10(s^2) energy": [[1756, "psivar-SAPT-EXCH10-S-2-ENERGY", false]], "sapt exch11(s^2) energy": [[1756, "psivar-SAPT-EXCH11-S-2-ENERGY", false]], "sapt exch12(s^2) energy": [[1756, "psivar-SAPT-EXCH12-S-2-ENERGY", false]], "sapt hf total energy": [[1756, "psivar-SAPT-HF-TOTAL-ENERGY", false]], "sapt hf(2) energy a(0)": [[1756, "psivar-SAPT-HF-2-ENERGY-A-0", false]], "sapt hf(2) energy a(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-A-HF", false]], "sapt hf(2) energy ab(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-AB-HF", false]], "sapt hf(2) energy abc(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-ABC-HF", false]], "sapt hf(2) energy ac(0)": [[1756, "psivar-SAPT-HF-2-ENERGY-AC-0", false]], "sapt hf(2) energy ac(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-AC-HF", false]], "sapt hf(2) energy b(0)": [[1756, "psivar-SAPT-HF-2-ENERGY-B-0", false]], "sapt hf(2) energy b(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-B-HF", false]], "sapt hf(2) energy bc(0)": [[1756, "psivar-SAPT-HF-2-ENERGY-BC-0", false]], "sapt hf(2) energy bc(hf)": [[1756, "psivar-SAPT-HF-2-ENERGY-BC-HF", false]], "sapt hf(2) energy c": [[1756, "psivar-SAPT-HF-2-ENERGY-C", false]], "sapt hf(2) energy hf": [[1756, "psivar-SAPT-HF-2-ENERGY-HF", false]], "sapt ind energy": [[1756, "psivar-SAPT-IND-ENERGY", false]], "sapt ind-disp30 energy": [[1756, "psivar-SAPT-IND-DISP30-ENERGY", false]], "sapt ind20,r energy": [[1756, "psivar-SAPT-IND20-R-ENERGY", false]], "sapt ind20,u energy": [[1756, "psivar-SAPT-IND20-U-ENERGY", false]], "sapt ind22 energy": [[1756, "psivar-SAPT-IND22-ENERGY", false]], "sapt ind30,r energy": [[1756, "psivar-SAPT-IND30-R-ENERGY", false]], "sapt mp2 correlation energy": [[1756, "psivar-SAPT-MP2-CORRELATION-ENERGY", false]], "sapt same-spin disp20 energy": [[1756, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", false]], "sapt same-spin exch-disp20 energy": [[1756, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", false]], "sapt total energy": [[1756, "psivar-SAPT-TOTAL-ENERGY", false]], "sapt() (in module psi4.core)": [[237, "psi4.core.sapt", false]], "sapt(dft)": [[1817, "index-2", false]], "sapt0": [[1817, "index-1", false]], "sapt0 disp energy": [[1756, "psivar-SAPT0-DISP-ENERGY", false]], "sapt0 elst energy": [[1756, "psivar-SAPT0-ELST-ENERGY", false]], "sapt0 exch energy": [[1756, "psivar-SAPT0-EXCH-ENERGY", false]], "sapt0 ind energy": [[1756, "psivar-SAPT0-IND-ENERGY", false]], "sapt0 total energy": [[1756, "psivar-SAPT0-TOTAL-ENERGY", false]], "sapt0_e10 (sapt)": [[1684, "term-SAPT0_E10-SAPT", true]], "sapt0_e20disp (sapt)": [[1684, "term-SAPT0_E20DISP-SAPT", true]], "sapt0_e20ind (sapt)": [[1684, "term-SAPT0_E20IND-SAPT", true]], "sapt2 disp energy": [[1756, "psivar-SAPT2-DISP-ENERGY", false]], "sapt2 elst energy": [[1756, "psivar-SAPT2-ELST-ENERGY", false]], "sapt2 exch energy": [[1756, "psivar-SAPT2-EXCH-ENERGY", false]], "sapt2 ind energy": [[1756, "psivar-SAPT2-IND-ENERGY", false]], "sapt2 total energy": [[1756, "psivar-SAPT2-TOTAL-ENERGY", false]], "sapt2+ disp energy": [[1756, "psivar-1", false]], "sapt2+ elst energy": [[1756, "psivar-2", false]], "sapt2+ exch energy": [[1756, "psivar-3", false]], "sapt2+ ind energy": [[1756, "psivar-4", false]], "sapt2+ total energy": [[1756, "psivar-9", false]], "sapt2+(3) disp energy": [[1756, "psivar-SAPT2-3-DISP-ENERGY", false]], "sapt2+(3) elst energy": [[1756, "psivar-SAPT2-3-ELST-ENERGY", false]], "sapt2+(3) exch energy": [[1756, "psivar-SAPT2-3-EXCH-ENERGY", false]], "sapt2+(3) ind energy": [[1756, "psivar-SAPT2-3-IND-ENERGY", false]], "sapt2+(3) total energy": [[1756, "psivar-SAPT2-3-TOTAL-ENERGY", false]], "sapt2+(3)(ccd) disp energy": [[1756, "psivar-SAPT2-3-CCD-DISP-ENERGY", false]], "sapt2+(3)(ccd) elst energy": [[1756, "psivar-SAPT2-3-CCD-ELST-ENERGY", false]], "sapt2+(3)(ccd) exch energy": [[1756, "psivar-SAPT2-3-CCD-EXCH-ENERGY", false]], "sapt2+(3)(ccd) ind energy": [[1756, "psivar-SAPT2-3-CCD-IND-ENERGY", false]], "sapt2+(3)(ccd) total energy": [[1756, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", false]], "sapt2+(3)(ccd)dmp2 disp energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(3)(ccd)dmp2 elst energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(3)(ccd)dmp2 exch energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(3)(ccd)dmp2 ind energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", false]], "sapt2+(3)(ccd)dmp2 total energy": [[1756, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+(3)dmp2 disp energy": [[1756, "psivar-SAPT2-3-DMP2-DISP-ENERGY", false]], "sapt2+(3)dmp2 elst energy": [[1756, "psivar-SAPT2-3-DMP2-ELST-ENERGY", false]], "sapt2+(3)dmp2 exch energy": [[1756, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", false]], "sapt2+(3)dmp2 ind energy": [[1756, "psivar-SAPT2-3-DMP2-IND-ENERGY", false]], "sapt2+(3)dmp2 total energy": [[1756, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", false]], "sapt2+(ccd) disp energy": [[1756, "psivar-SAPT2-CCD-DISP-ENERGY", false]], "sapt2+(ccd) elst energy": [[1756, "psivar-SAPT2-CCD-ELST-ENERGY", false]], "sapt2+(ccd) exch energy": [[1756, "psivar-SAPT2-CCD-EXCH-ENERGY", false]], "sapt2+(ccd) ind energy": [[1756, "psivar-SAPT2-CCD-IND-ENERGY", false]], "sapt2+(ccd) total energy": [[1756, "psivar-SAPT2-CCD-TOTAL-ENERGY", false]], "sapt2+(ccd)dmp2 disp energy": [[1756, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", false]], "sapt2+(ccd)dmp2 elst energy": [[1756, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", false]], "sapt2+(ccd)dmp2 exch energy": [[1756, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", false]], "sapt2+(ccd)dmp2 ind energy": [[1756, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", false]], "sapt2+(ccd)dmp2 total energy": [[1756, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", false]], "sapt2+3 disp energy": [[1756, "psivar-5", false]], "sapt2+3 elst energy": [[1756, "psivar-6", false]], "sapt2+3 exch energy": [[1756, "psivar-7", false]], "sapt2+3 ind energy": [[1756, "psivar-8", false]], "sapt2+3 total energy": [[1756, "psivar-10", false]], "sapt2+3(ccd) disp energy": [[1756, "psivar-11", false]], "sapt2+3(ccd) elst energy": [[1756, "psivar-12", false]], "sapt2+3(ccd) exch energy": [[1756, "psivar-13", false]], "sapt2+3(ccd) ind energy": [[1756, "psivar-14", false]], "sapt2+3(ccd) total energy": [[1756, "psivar-15", false]], "sapt2+3(ccd)dmp2 disp energy": [[1756, "psivar-16", false]], "sapt2+3(ccd)dmp2 elst energy": [[1756, "psivar-17", false]], "sapt2+3(ccd)dmp2 exch energy": [[1756, "psivar-18", false]], "sapt2+3(ccd)dmp2 ind energy": [[1756, "psivar-19", false]], "sapt2+3(ccd)dmp2 total energy": [[1756, "psivar-20", false]], "sapt2+3dmp2 disp energy": [[1756, "psivar-SAPT2-3DMP2-DISP-ENERGY", false]], "sapt2+3dmp2 elst energy": [[1756, "psivar-SAPT2-3DMP2-ELST-ENERGY", false]], "sapt2+3dmp2 exch energy": [[1756, "psivar-SAPT2-3DMP2-EXCH-ENERGY", false]], "sapt2+3dmp2 ind energy": [[1756, "psivar-SAPT2-3DMP2-IND-ENERGY", false]], "sapt2+3dmp2 total energy": [[1756, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", false]], "sapt2+dmp2 disp energy": [[1756, "psivar-SAPT2-DMP2-DISP-ENERGY", false]], "sapt2+dmp2 elst energy": [[1756, "psivar-SAPT2-DMP2-ELST-ENERGY", false]], "sapt2+dmp2 exch energy": [[1756, "psivar-SAPT2-DMP2-EXCH-ENERGY", false]], "sapt2+dmp2 ind energy": [[1756, "psivar-SAPT2-DMP2-IND-ENERGY", false]], "sapt2+dmp2 total energy": [[1756, "psivar-SAPT2-DMP2-TOTAL-ENERGY", false]], "sapt_dft_do_dhf (sapt)": [[1684, "term-SAPT_DFT_DO_DHF-SAPT", true]], "sapt_dft_do_hybrid (sapt)": [[1684, "term-SAPT_DFT_DO_HYBRID-SAPT", true]], "sapt_dft_exch_disp_fixed_scale (sapt)": [[1684, "term-SAPT_DFT_EXCH_DISP_FIXED_SCALE-SAPT", true]], "sapt_dft_exch_disp_scale_scheme (sapt)": [[1684, "term-SAPT_DFT_EXCH_DISP_SCALE_SCHEME-SAPT", true]], "sapt_dft_functional (sapt)": [[1684, "term-SAPT_DFT_FUNCTIONAL-SAPT", true]], "sapt_dft_grac_determination (sapt)": [[1684, "term-SAPT_DFT_GRAC_DETERMINATION-SAPT", true]], "sapt_dft_grac_shift_a (sapt)": [[1684, "term-SAPT_DFT_GRAC_SHIFT_A-SAPT", true]], "sapt_dft_grac_shift_b (sapt)": [[1684, "term-SAPT_DFT_GRAC_SHIFT_B-SAPT", true]], "sapt_dft_mp2_disp_alg (sapt)": [[1684, "term-SAPT_DFT_MP2_DISP_ALG-SAPT", true]], "sapt_fdds_disp_leg_lambda (sapt)": [[1684, "term-SAPT_FDDS_DISP_LEG_LAMBDA-SAPT", true]], "sapt_fdds_disp_num_points (sapt)": [[1684, "term-SAPT_FDDS_DISP_NUM_POINTS-SAPT", true]], "sapt_fdds_v2_rho_cutoff (sapt)": [[1684, "term-SAPT_FDDS_V2_RHO_CUTOFF-SAPT", true]], "sapt_level (sapt)": [[1684, "term-SAPT_LEVEL-SAPT", true]], "sapt_mem_check (sapt)": [[1684, "term-SAPT_MEM_CHECK-SAPT", true]], "sapt_mem_factor (sapt)": [[1684, "term-SAPT_MEM_FACTOR-SAPT", true]], "sapt_mem_safety (sapt)": [[1684, "term-SAPT_MEM_SAFETY-SAPT", true]], "sapt_quiet (sapt)": [[1684, "term-SAPT_QUIET-SAPT", true]], "save() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.save", false]], "save() (psi4.core.vector method)": [[148, "psi4.core.Vector.save", false]], "save_density() (psi4.driver.p4util.inpsight method)": [[323, 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[[150, "psi4.core.Wavefunction.scalar_variable", false]], "scalar_variables() (in module psi4.core)": [[239, "psi4.core.scalar_variables", false]], "scalar_variables() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.scalar_variables", false]], "scalars() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scalars", false]], "scale() (psi4.core.civector method)": [[12, "psi4.core.CIVector.scale", false]], "scale() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale", false]], "scale() (psi4.core.vector method)": [[148, "psi4.core.Vector.scale", false]], "scale_column() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_column", false]], "scale_row() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.scale_row", false]], "scatter() (in module psi4.core)": [[240, "psi4.core.scatter", false]], "scf": [[1818, "index-0", false], [1818, "index-1", false]], "scf dipole": [[1756, "psivar-SCF-DIPOLE", false]], "scf dipole gradient": [[1756, "psivar-SCF-DIPOLE-GRADIENT", false]], "scf iterations": [[1756, "psivar-SCF-ITERATIONS", false]], "scf quadrupole": [[1756, "psivar-SCF-QUADRUPOLE", false]], "scf stability eigenvalues": [[1756, "psivar-SCF-STABILITY-EIGENVALUES", false]], "scf total energy": [[1756, "psivar-SCF-TOTAL-ENERGY", false]], "scf total gradient": [[1756, "psivar-SCF-TOTAL-GRADIENT", false]], "scf total hessian": [[1756, "psivar-SCF-TOTAL-HESSIAN", false]], "scf() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.scf", false]], "scf_dtot() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.SCF_Dtot", false]], "scf_helper() (in module psi4.driver)": [[393, "psi4.driver.scf_helper", false]], "scf_initial_accelerator (scf)": [[1684, "term-SCF_INITIAL_ACCELERATOR-SCF", true]], "scf_initial_finish_diis_transition (scf)": [[1684, "term-SCF_INITIAL_FINISH_DIIS_TRANSITION-SCF", true]], "scf_initial_start_diis_transition (scf)": [[1684, "term-SCF_INITIAL_START_DIIS_TRANSITION-SCF", true]], "scf_mem_safety_factor (scf)": [[1684, "term-SCF_MEM_SAFETY_FACTOR-SCF", true]], "scf_properties (scf)": [[1684, "term-SCF_PROPERTIES-SCF", true]], "scf_subtype (scf)": [[1684, "term-SCF_SUBTYPE-SCF", true]], "scf_type (cphf)": [[1684, "term-SCF_TYPE-CPHF", true]], "scf_type (globals)": [[1684, "term-SCF_TYPE-GLOBALS", true]], "scf_type() (psi4.core.hf method)": [[84, "psi4.core.HF.scf_type", false]], "scf_wavefunction_factory() (in module psi4.driver)": [[394, "psi4.driver.scf_wavefunction_factory", false]], "scf_xtpl_helgaker_2() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_2", false]], "scf_xtpl_helgaker_3() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.scf_xtpl_helgaker_3", false]], "scf_xtpl_karton_2() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.scf_xtpl_karton_2", false]], "scf_xtpl_truhlar_2() (in module psi4.driver.driver_cbs_helper)": [[1720, "psi4.driver.driver_cbs_helper.scf_xtpl_truhlar_2", false]], "scfconvergenceerror": [[276, "psi4.driver.SCFConvergenceError", false]], "scfgrad() (in module psi4.core)": [[241, "psi4.core.scfgrad", false]], "scfhess() (in module psi4.core)": [[242, "psi4.core.scfhess", false]], "schmidt() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.schmidt", false]], "schmidt_add_residual_tolerance (cceom)": [[1684, "term-SCHMIDT_ADD_RESIDUAL_TOLERANCE-CCEOM", true]], "schoenflies_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.schoenflies_symbol", false]], "scramble() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.scramble", false]], "scratch files": [[1747, "index-0", false]], "screening (globals)": [[1684, "term-SCREENING-GLOBALS", true]], "scs(n)-mp2 correlation energy": [[1756, "psivar-SCS-N-MP2-CORRELATION-ENERGY", false]], "scs(n)-mp2 total energy": [[1756, "psivar-SCS-N-MP2-TOTAL-ENERGY", false]], "scs(n)-omp2 correlation energy": [[1756, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", false]], "scs(n)-omp2 total energy": [[1756, "psivar-SCS-N-OMP2-TOTAL-ENERGY", false]], "scs-ccsd correlation energy": [[1756, "psivar-SCS-CCSD-CORRELATION-ENERGY", false]], "scs-ccsd total energy": [[1756, "psivar-SCS-CCSD-TOTAL-ENERGY", false]], "scs-mp2 correlation energy": [[1756, "psivar-SCS-MP2-CORRELATION-ENERGY", false]], "scs-mp2 total energy": [[1756, "psivar-SCS-MP2-TOTAL-ENERGY", false]], "scs-mp2-vdw correlation energy": [[1756, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", false]], "scs-mp2-vdw total energy": [[1756, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", false]], "scs-mp3 correlation energy": [[1756, "psivar-SCS-MP3-CORRELATION-ENERGY", false]], "scs-mp3 total energy": [[1756, "psivar-SCS-MP3-TOTAL-ENERGY", false]], "scs-omp2 correlation energy": [[1756, "psivar-SCS-OMP2-CORRELATION-ENERGY", false]], "scs-omp2 total energy": [[1756, "psivar-SCS-OMP2-TOTAL-ENERGY", false]], "scs-omp3 correlation energy": [[1756, "psivar-SCS-OMP3-CORRELATION-ENERGY", false]], "scs-omp3 total energy": [[1756, "psivar-SCS-OMP3-TOTAL-ENERGY", false]], "scs_ccsd (ccenergy)": [[1684, "term-SCS_CCSD-CCENERGY", true]], "scs_ccsd (fnocc)": [[1684, "term-SCS_CCSD-FNOCC", true]], "scs_cepa (fnocc)": [[1684, "term-SCS_CEPA-FNOCC", true]], "scs_mp2 (ccenergy)": [[1684, "term-SCS_MP2-CCENERGY", true]], "scs_mp2 (fnocc)": [[1684, "term-SCS_MP2-FNOCC", true]], "scs_type (dfocc)": [[1684, "term-SCS_TYPE-DFOCC", true]], "scs_type (occ)": [[1684, "term-SCS_TYPE-OCC", true]], "scsn-omp2 correlation energy": [[1756, "psivar-SCSN-OMP2-CORRELATION-ENERGY", false]], "scsn-omp2 total energy": [[1756, "psivar-SCSN-OMP2-TOTAL-ENERGY", false]], "scsn_mp2 (ccenergy)": [[1684, "term-SCSN_MP2-CCENERGY", true]], "sekino (cclambda)": [[1684, "term-SEKINO-CCLAMBDA", true]], "sekino (ccresponse)": [[1684, "term-SEKINO-CCRESPONSE", true]], "semicanonical (ccenergy)": [[1684, "term-SEMICANONICAL-CCENERGY", true]], "semicanonical (cceom)": [[1684, 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"psi4.core.SADGuess.set_atomic_fit_bases", false]], "set_basis() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_basis", false]], "set_basis_all_atoms() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_all_atoms", false]], "set_basis_by_label() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_label", false]], "set_basis_by_number() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_number", false]], "set_basis_by_symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_basis_by_symbol", false]], "set_basisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_basisset", false]], "set_basisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_basisset", false]], "set_bb_int_name() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_bb_int_name", false]], "set_bibtex() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_bibtex", false]], "set_block() (psi4.core.intvector method)": [[88, "psi4.core.IntVector.set_block", false]], "set_block() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.set_block", false]], "set_block() (psi4.core.vector method)": [[148, "psi4.core.Vector.set_block", false]], "set_bool() (psi4.core.options method)": [[114, "psi4.core.Options.set_bool", false]], "set_bsse_type() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_bsse_type", false]], "set_c_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_alpha", false]], "set_c_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_omega", false]], "set_c_os_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_os_alpha", false]], "set_c_ss_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_c_ss_alpha", false]], 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"psi4.core.Options.set_current_module", false]], "set_cutoff() (psi4.core.jk method)": [[92, "psi4.core.JK.set_cutoff", false]], "set_d() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_D", false]], "set_da_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_ao", false]], "set_da_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_mo", false]], "set_da_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Da_so", false]], "set_datadir() (in module psi4.core)": [[245, "psi4.core.set_datadir", false]], "set_db_ao() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_ao", false]], "set_db_mo() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_mo", false]], "set_db_so() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_Db_so", false]], "set_debug() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_debug", false]], "set_debug() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_debug", false]], "set_default_namespace() (psi4.core.io static method)": [[86, "psi4.core.IO.set_default_namespace", false]], "set_default_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_default_path", false]], "set_define() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_define", false]], "set_delta() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.set_delta", false]], "set_density_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_density_cutoff", false]], "set_density_cutoff() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_density_cutoff", false]], "set_density_tolerance() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_density_tolerance", false]], "set_deriv() (psi4.core.basisfunctions method)": [[7, "psi4.core.BasisFunctions.set_deriv", false]], "set_deriv() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_deriv", false]], "set_deriv_density_backtransformed() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_deriv_density_backtransformed", false]], "set_description() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_description", false]], "set_description() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_description", false]], "set_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_description", false]], "set_do_j() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_J", false]], "set_do_k() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_K", false]], "set_do_vv10() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_do_vv10", false]], "set_do_wk() (psi4.core.jk method)": [[92, "psi4.core.JK.set_do_wK", false]], "set_double() (psi4.core.options method)": [[114, "psi4.core.Options.set_double", false]], "set_dpd_id() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_id", false]], "set_dpd_int_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_dpd_int_file", false]], "set_driver() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_driver", false]], "set_embedding_charges() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_embedding_charges", false]], "set_energies() (psi4.core.hf method)": [[84, "psi4.core.HF.set_energies", false]], "set_energy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_energy", false]], "set_external_cpscf_perturbation() (psi4.core.hf method)": [[84, "psi4.core.HF.set_external_cpscf_perturbation", false]], "set_external_potential() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_external_potential", false]], "set_full_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_full_geometry", false]], "set_geometry() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_geometry", false]], "set_gga() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_gga", false]], "set_ghost_fragment() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragment", false]], "set_ghost_fragments() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_ghost_fragments", false]], "set_global_option() (in module psi4.core)": [[246, "psi4.core.set_global_option", false]], "set_global_option_python() (in module psi4.core)": [[247, "psi4.core.set_global_option_python", false]], "set_grac_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_alpha", false]], "set_grac_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_beta", false]], "set_grac_shift() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_grac_shift", false]], "set_gradient() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_gradient", false]], "set_hessian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_hessian", false]], "set_ignore_reference() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_ignore_reference", false]], "set_input_units_to_au() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_input_units_to_au", false]], "set_int() (psi4.core.options method)": [[114, "psi4.core.Options.set_int", false]], "set_jk() (psi4.core.hf method)": [[84, "psi4.core.HF.set_jk", false]], "set_keep_dpd_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_dpd_so_ints", false]], "set_keep_ht_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_ht_ints", false]], "set_keep_iwl_so_ints() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_keep_iwl_so_ints", false]], "set_keywords() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_keywords", false]], "set_lagrangian() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_lagrangian", false]], "set_local_option() (in module psi4.core)": [[248, "psi4.core.set_local_option", false]], "set_local_option_python() (in module psi4.core)": [[249, "psi4.core.set_local_option_python", false]], "set_lock() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_lock", false]], "set_lsda_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_lsda_cutoff", false]], "set_mass() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_mass", false]], "set_max_nbody() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_max_nbody", false]], "set_max_points() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_max_points", false]], "set_memory() (in module psi4.driver)": [[395, "psi4.driver.set_memory", false]], "set_memory() (in module psi4.driver.p4util)": [[374, "psi4.driver.p4util.set_memory", false]], "set_memory() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_memory", false]], "set_memory() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_memory", false]], "set_memory() (psi4.core.jk method)": [[92, "psi4.core.JK.set_memory", false]], "set_memory_bytes() (in module psi4.core)": [[250, "psi4.core.set_memory_bytes", false]], "set_meta() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta", false]], "set_meta_cutoff() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_meta_cutoff", false]], "set_method() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_method", false]], "set_method() (psi4.driver.atomiccomputer class method)": [[265, "psi4.driver.AtomicComputer.set_method", false]], "set_mo_core() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_MO_core", false]], "set_module() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_module", false]], "set_module_options() (in module psi4.driver)": [[396, "psi4.driver.set_module_options", false]], "set_module_options() (in module psi4.driver.p4util)": [[375, "psi4.driver.p4util.set_module_options", false]], "set_molecular_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_molecular_charge", false]], "set_molecule() (psi4.driver.driver_cbs.compositecomputer class method)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_findif.finitedifferencecomputer class method)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.set_molecule", false]], "set_molecule() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_molecule", false]], "set_multiplicity() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_multiplicity", false]], "set_name() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.set_name", false]], "set_name() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_name", false]], "set_name() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_name", false]], "set_name() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_name", false]], "set_name() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_name", false]], "set_names() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_names", false]], "set_nfragments() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_nfragments", false]], "set_nthreads() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_nthreads", false]], "set_nuclear_charge() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_nuclear_charge", false]], "set_num_threads() (in module psi4.core)": [[251, "psi4.core.set_num_threads", false]], "set_nvec() (psi4.core.civector method)": [[12, "psi4.core.CIVector.set_nvec", false]], "set_omega() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_omega", false]], "set_omega() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega", false]], "set_omega() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_omega", false]], "set_omega_alpha() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_alpha", false]], "set_omega_beta() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omega_beta", false]], "set_omp_nthread() (psi4.core.jk method)": [[92, "psi4.core.JK.set_omp_nthread", false]], "set_options() (in module psi4.driver)": [[397, "psi4.driver.set_options", false]], "set_options() (in module psi4.driver.p4util)": [[376, "psi4.driver.p4util.set_options", false]], "set_orbitals() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.set_orbitals", false]], "set_orbitals() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_orbitals", false]], "set_output_file() (in module psi4)": [[1748, "psi4.set_output_file", false]], "set_output_file() (in module psi4.core)": [[252, "psi4.core.set_output_file", false]], "set_parameter() (psi4.core.functional method)": [[80, "psi4.core.Functional.set_parameter", false]], "set_params() (psi4.core.correlationfactor method)": [[19, "psi4.core.CorrelationFactor.set_params", false]], "set_pid() (psi4.core.io method)": [[86, "psi4.core.IO.set_pid", false]], "set_point_group() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_point_group", false]], "set_pointers() (psi4.core.pointfunctions method)": [[119, "psi4.core.PointFunctions.set_pointers", false]], "set_postscf_density_label() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.set_postscf_density_label", false]], "set_potential_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_potential_variable", false]], "set_print() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_print", false]], "set_print() (psi4.core.jk method)": [[92, "psi4.core.JK.set_print", false]], "set_print() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.set_print", false]], "set_print() (psi4.core.sadguess method)": [[131, "psi4.core.SADGuess.set_print", false]], "set_print() (psi4.core.vbase method)": [[147, "psi4.core.VBase.set_print", false]], "set_print() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_print", false]], "set_provenance() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_provenance", false]], "set_psi_file_prefix() (in module psi4.core)": [[253, "psi4.core.set_psi_file_prefix", false]], "set_psio() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_psio", false]], "set_radius() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_radius", false]], "set_read_globals() (psi4.core.options method)": [[114, "psi4.core.Options.set_read_globals", false]], "set_reference_wavefunction() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_reference_wavefunction", false]], "set_return_total_data() (psi4.driver.driver_nbody.manybodycomputer class method)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.set_return_total_data", false]], "set_sad_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_basissets", false]], "set_sad_fitting_basissets() (psi4.core.hf method)": [[84, "psi4.core.HF.set_sad_fitting_basissets", false]], "set_scalar_variable() (in module psi4.core)": [[254, "psi4.core.set_scalar_variable", false]], "set_scalar_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_scalar_variable", false]], "set_schwarz_cutoff() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_schwarz_cutoff", false]], "set_size() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_size", false]], "set_so_tei_file() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_so_tei_file", false]], "set_specific_path() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_path", false]], "set_specific_retention() (psi4.core.iomanager method)": [[87, "psi4.core.IOManager.set_specific_retention", false]], "set_str() (psi4.core.options method)": [[114, "psi4.core.Options.set_str", false]], "set_str_i() (psi4.core.options method)": [[114, "psi4.core.Options.set_str_i", false]], "set_subalgo() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.set_subalgo", false]], "set_tei_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tei_already_presorted", false]], "set_title() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.set_title", false]], "set_tpdm_already_presorted() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_tpdm_already_presorted", false]], "set_tpdm_presorted() (psi4.core.deriv method)": [[61, "psi4.core.Deriv.set_tpdm_presorted", false]], "set_tweak() (psi4.core.libxcfunctional method)": [[96, "psi4.core.LibXCFunctional.set_tweak", false]], "set_units() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_units", false]], "set_variable() (in module psi4.core)": [[255, "psi4.core.set_variable", false]], "set_variable() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.set_variable", false]], "set_variable() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.set_variable", false]], "set_view() (psi4.driver.p4util.inpsight method)": [[323, "psi4.driver.p4util.InPsight.set_view", false]], "set_vv10_b() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_b", false]], "set_vv10_c() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_vv10_c", false]], "set_wcombine() (psi4.core.jk method)": [[92, "psi4.core.JK.set_wcombine", false]], "set_write_dpd_so_tpdm() (psi4.core.integraltransform method)": [[90, "psi4.core.IntegralTransform.set_write_dpd_so_tpdm", false]], "set_x_alpha() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_alpha", false]], "set_x_beta() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_beta", false]], "set_x_omega() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_x_omega", false]], "set_xclib_description() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.set_xclib_description", false]], "setname() (psi4.core.externalpotential method)": [[73, "psi4.core.ExternalPotential.setName", false]], "setting": [[1720, "index-0", false], [1732, "index-0", false], [1741, "index-0", false], [1746, "index-0", false], [1752, "index-0", false], [1774, "index-1", false], [1780, "index-0", false], [1806, "index-0", false], [1812, "index-2", false], [1813, "index-2", false]], "setting keywords": [[1778, "index-2", false], [1778, "index-3", false], [1778, "index-4", false], [1778, "index-5", false], [1778, "index-6", false]], "sf_restrict (detci)": [[1684, "term-SF_RESTRICT-DETCI", true]], "shallow_copy() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.shallow_copy", false]], "shape (psi4.core.matrix attribute)": [[100, "psi4.core.Matrix.shape", false]], "shape (psi4.core.vector attribute)": [[148, "psi4.core.Vector.shape", false]], "shared_object() (psi4.core.io static method)": [[86, "psi4.core.IO.shared_object", false]], "shared_object() (psi4.core.iomanager static method)": [[87, "psi4.core.IOManager.shared_object", false]], "shell() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell", false]], "shell_extents() (psi4.core.basisextents method)": [[6, "psi4.core.BasisExtents.shell_extents", false]], "shell_on_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_on_center", false]], "shell_significant() (psi4.core.twobodyaoint method)": [[143, "psi4.core.TwoBodyAOInt.shell_significant", false]], "shell_significant() (psi4.core.twoelectronint method)": [[144, "psi4.core.TwoElectronInt.shell_significant", false]], "shell_to_ao_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_ao_function", false]], "shell_to_basis_function() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_basis_function", false]], "shell_to_center() (psi4.core.basisset method)": [[8, "psi4.core.BasisSet.shell_to_center", false]], "shellinfo (class in psi4.core)": [[136, "psi4.core.ShellInfo", false]], "shells_iterator() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.shells_iterator", false]], "shells_local_to_global() (psi4.core.blockopoints method)": [[9, "psi4.core.BlockOPoints.shells_local_to_global", false]], "sherrill_gold_standard() (in module psi4.driver.aliases)": [[1720, "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)": [[1684, "term-SIGMA_OVERLAP-DETCI", true]], "sigma_xy() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xy", false]], "sigma_xz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_xz", false]], "sigma_yz() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.sigma_yz", false]], "simint": [[1819, "index-0", false]], "sinf_disp() (psi4.core.fisapt method)": [[76, "psi4.core.FISAPT.sinf_disp", false]], "single-point": [[1746, "index-0", false]], "singles_print (cceom)": [[1684, "term-SINGLES_PRINT-CCEOM", true]], "sky (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.sky", false]], "slice (class in psi4.core)": [[137, "psi4.core.Slice", false]], "small_cutoff (psimrcc)": [[1684, "term-SMALL_CUTOFF-PSIMRCC", true]], "sns-mp2": [[1786, "index-0", false]], "so_angular_momentum() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_angular_momentum", false]], "so_angular_momentum() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_angular_momentum", false]], "so_dipole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_dipole", false]], "so_dipole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_dipole", false]], "so_dkh() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_dkh", false]], "so_kinetic() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_kinetic", false]], "so_kinetic() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_kinetic", false]], "so_multipoles() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_multipoles", false]], "so_nabla() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_nabla", false]], "so_nabla() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_nabla", false]], "so_overlap() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_overlap", false]], "so_overlap() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_overlap", false]], "so_potential() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_potential", false]], "so_potential() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_potential", false]], "so_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_quadrupole", false]], "so_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.integralfactory method)": [[89, "psi4.core.IntegralFactory.so_traceless_quadrupole", false]], "so_traceless_quadrupole() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.so_traceless_quadrupole", false]], "sobasisset (class in psi4.core)": [[132, "psi4.core.SOBasisSet", false]], "sobasisset() (psi4.core.mintshelper method)": [[103, "psi4.core.MintsHelper.sobasisset", false]], "sobasisset() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.sobasisset", false]], "socc (globals)": [[1684, "term-SOCC-GLOBALS", true]], "socc (mcscf)": [[1684, "term-SOCC-MCSCF", true]], "soccpi() (psi4.core.wavefunction method)": [[150, "psi4.core.Wavefunction.soccpi", false]], "sofeff() (psi4.core.rohf method)": [[130, "psi4.core.ROHF.soFeff", false]], "solve() (psi4.core.somcscf method)": [[133, "psi4.core.SOMCSCF.solve", false]], "solver_convergence (cphf)": [[1684, "term-SOLVER_CONVERGENCE-CPHF", true]], "solver_convergence (scf)": [[1684, "term-SOLVER_CONVERGENCE-SCF", true]], "solver_maxiter (cphf)": [[1684, "term-SOLVER_MAXITER-CPHF", true]], "solver_maxiter (scf)": [[1684, "term-SOLVER_MAXITER-SCF", true]], "solver_n_guess (cphf)": [[1684, "term-SOLVER_N_GUESS-CPHF", true]], "solver_n_guess (scf)": [[1684, "term-SOLVER_N_GUESS-SCF", true]], "solver_n_root (scf)": [[1684, "term-SOLVER_N_ROOT-SCF", true]], "solver_precondition (cphf)": [[1684, "term-SOLVER_PRECONDITION-CPHF", true]], "solver_roots_per_irrep (scf)": [[1684, "term-SOLVER_ROOTS_PER_IRREP-SCF", true]], "solverengine (class in psi4.driver.p4util)": [[329, "psi4.driver.p4util.SolverEngine", false]], "somcscf (class in psi4.core)": [[133, "psi4.core.SOMCSCF", false]], "sos-mp2 correlation energy": [[1756, "psivar-SOS-MP2-CORRELATION-ENERGY", false]], "sos-mp2 total energy": [[1756, "psivar-SOS-MP2-TOTAL-ENERGY", false]], "sos-omp2 correlation energy": [[1756, "psivar-SOS-OMP2-CORRELATION-ENERGY", false]], "sos-omp2 total energy": [[1756, "psivar-SOS-OMP2-TOTAL-ENERGY", false]], "sos-omp3 correlation energy": [[1756, "psivar-SOS-OMP3-CORRELATION-ENERGY", false]], "sos-omp3 total energy": [[1756, "psivar-SOS-OMP3-TOTAL-ENERGY", false]], "sos-pi-mp2 correlation energy": [[1756, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", false]], "sos-pi-mp2 total energy": [[1756, "psivar-SOS-PI-MP2-TOTAL-ENERGY", false]], "sos_type (dfocc)": [[1684, "term-SOS_TYPE-DFOCC", true]], "sos_type (occ)": [[1684, "term-SOS_TYPE-OCC", true]], "soscf": [[1818, "index-3", false]], "soscf (scf)": [[1684, "term-SOSCF-SCF", true]], "soscf_conv (scf)": [[1684, "term-SOSCF_CONV-SCF", true]], "soscf_max_iter (scf)": [[1684, "term-SOSCF_MAX_ITER-SCF", true]], "soscf_min_iter (scf)": [[1684, "term-SOSCF_MIN_ITER-SCF", true]], "soscf_print (scf)": [[1684, "term-SOSCF_PRINT-SCF", true]], "soscf_start_convergence (scf)": [[1684, "term-SOSCF_START_CONVERGENCE-SCF", true]], "soscf_update() (psi4.core.hf method)": [[84, "psi4.core.HF.soscf_update", false]], "sotoao() (psi4.core.petitelist method)": [[118, "psi4.core.PetiteList.sotoao", false]], "specification": [[1813, "index-0", false]], "spectrum() (in module psi4.driver.p4util)": [[377, "psi4.driver.p4util.spectrum", false]], "spin multiplicities of higher roots": [[1735, "index-3", false]], "spin_scale_type (occ)": [[1684, "term-SPIN_SCALE_TYPE-OCC", true]], "sr6() (psi4.core.dispersion method)": [[68, "psi4.core.Dispersion.sr6", false]], "ss_e_convergence (cceom)": [[1684, "term-SS_E_CONVERGENCE-CCEOM", true]], "ss_r_convergence (cceom)": [[1684, "term-SS_R_CONVERGENCE-CCEOM", true]], "ss_scale (occ)": [[1684, "term-SS_SCALE-OCC", true]], "ss_skip_diag (cceom)": [[1684, "term-SS_SKIP_DIAG-CCEOM", true]], "ss_vecs_per_root (cceom)": [[1684, "term-SS_VECS_PER_ROOT-CCEOM", true]], "ssapt0 disp energy": [[1756, "psivar-SSAPT0-DISP-ENERGY", false]], "ssapt0 elst energy": [[1756, "psivar-SSAPT0-ELST-ENERGY", false]], "ssapt0 exch energy": [[1756, "psivar-SSAPT0-EXCH-ENERGY", false]], "ssapt0 ind energy": [[1756, "psivar-SSAPT0-IND-ENERGY", false]], "ssapt0 total energy": [[1756, "psivar-SSAPT0-TOTAL-ENERGY", false]], "ssapt0_scale (fisapt)": [[1684, "term-SSAPT0_SCALE-FISAPT", true]], "stability_add_vectors (dct)": [[1684, "term-STABILITY_ADD_VECTORS-DCT", true]], "stability_analysis (scf)": [[1684, "term-STABILITY_ANALYSIS-SCF", true]], "stability_analysis() (psi4.core.hf method)": [[84, "psi4.core.HF.stability_analysis", false]], "stability_analysis() (psi4.core.uhf method)": [[145, "psi4.core.UHF.stability_analysis", false]], "stability_augment_space_tol (dct)": [[1684, "term-STABILITY_AUGMENT_SPACE_TOL-DCT", true]], "stability_check (dct)": [[1684, "term-STABILITY_CHECK-DCT", true]], "stability_convergence (dct)": [[1684, "term-STABILITY_CONVERGENCE-DCT", true]], "stability_max_space_size (dct)": [[1684, "term-STABILITY_MAX_SPACE_SIZE-DCT", true]], "stability_n_eigenvalues (dct)": [[1684, "term-STABILITY_N_EIGENVALUES-DCT", true]], "stability_n_guess_vectors (dct)": [[1684, "term-STABILITY_N_GUESS_VECTORS-DCT", true]], "state() (psi4.core.io method)": [[86, "psi4.core.IO.state", false]], "state_to_atomicinput() (in module psi4.driver.p4util)": [[378, "psi4.driver.p4util.state_to_atomicinput", false]], "stats (psi4.driver.managedmethoderror attribute)": [[268, "psi4.driver.ManagedMethodError.stats", false]], "stats (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.stats", false]], "step_type (optking)": [[1684, "term-STEP_TYPE-OPTKING", true]], "subblocks (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.SubBlocks", false]], "subdegen() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subdegen", false]], "subgroup() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subgroup", false]], "subn() (psi4.core.correlationtable method)": [[20, "psi4.core.CorrelationTable.subn", false]], "subtaskcomputers (in module psi4.driver.driver_nbody)": [[1748, "psi4.driver.driver_nbody.SubTaskComputers", false]], "subtract() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.subtract", false]], "success (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.Success", false]], "sum() (psi4.core.dimension method)": [[64, "psi4.core.Dimension.sum", false]], "sum_of_squares() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.sum_of_squares", false]], "summation_fields (pe)": [[1684, "term-SUMMATION_FIELDS-PE", true]], "superfunctional (class in psi4.core)": [[138, "psi4.core.SuperFunctional", false]], "symbol() (psi4.core.irreduciblerepresentation method)": [[91, "psi4.core.IrreducibleRepresentation.symbol", false]], "symbol() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symbol", false]], "symbol() (psi4.core.pointgroup method)": [[120, "psi4.core.PointGroup.symbol", false]], "symm_operation() (psi4.core.charactertable method)": [[17, "psi4.core.CharacterTable.symm_operation", false]], "symmetrize (occ)": [[1684, "term-SYMMETRIZE-OCC", true]], "symmetrize() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetrize", false]], "symmetrize_gradient() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetrize_gradient", false]], "symmetry": [[1813, "index-2", false], [1813, "index-6", false]], "symmetry() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.symmetry", false]], "symmetry_from_input() (psi4.core.molecule method)": [[106, "psi4.core.Molecule.symmetry_from_input", false]], "symmetryoperation (class in psi4.core)": [[139, "psi4.core.SymmetryOperation", false]], "symnormalize() (psi4.core.civector method)": [[12, "psi4.core.CIVector.symnormalize", false]], "t (thermo)": [[1684, "term-T-THERMO", true]], "t2_coupled (ccenergy)": [[1684, "term-T2_COUPLED-CCENERGY", true]], "t3_ws_incore (ccenergy)": [[1684, "term-T3_WS_INCORE-CCENERGY", true]], "t3_ws_incore (cceom)": [[1684, "term-T3_WS_INCORE-CCEOM", true]], "t_amps (cchbar)": [[1684, "term-T_AMPS-CCHBAR", true]], "t_cut_clmo (dlpno)": [[1684, "term-T_CUT_CLMO-DLPNO", true]], "t_cut_cpao (dlpno)": [[1684, "term-T_CUT_CPAO-DLPNO", true]], "t_cut_do (dlpno)": [[1684, "term-T_CUT_DO-DLPNO", true]], "t_cut_do_ij (dlpno)": [[1684, "term-T_CUT_DO_IJ-DLPNO", true]], "t_cut_do_pre (dlpno)": [[1684, "term-T_CUT_DO_PRE-DLPNO", true]], "t_cut_mkn (dlpno)": [[1684, "term-T_CUT_MKN-DLPNO", true]], "t_cut_pno (dlpno)": [[1684, "term-T_CUT_PNO-DLPNO", true]], "t_cut_pre (dlpno)": [[1684, "term-T_CUT_PRE-DLPNO", true]], "tag (psi4.driver.atomiccomputer attribute)": [[265, "psi4.driver.AtomicComputer.tag", false]], "tamm--dancoff approximation": [[1821, "index-0", false]], "task_list (psi4.driver.driver_cbs.compositecomputer attribute)": [[1720, "psi4.driver.driver_cbs.CompositeComputer.task_list", false]], "task_list (psi4.driver.driver_findif.finitedifferencecomputer attribute)": [[1752, "psi4.driver.driver_findif.FiniteDifferenceComputer.task_list", false]], "task_list (psi4.driver.driver_nbody.manybodycomputer attribute)": [[1774, "psi4.driver.driver_nbody.ManyBodyComputer.task_list", false]], "task_planner() (in module psi4.driver.task_planner)": [[1748, "psi4.driver.task_planner.task_planner", false]], "taskcomputers (in module psi4.driver.task_planner)": [[1748, "psi4.driver.task_planner.TaskComputers", false]], "td-fctl root 0 (h) -> root n (i) electric transition dipole moment (len)": [[1756, "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)": [[1756, "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": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector alpha": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) left eigenvector beta": [[1756, "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": [[1756, "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)": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) oscillator strength (vel)": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector alpha": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 (h) -> root n (i) right eigenvector beta": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (len)": [[1756, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 (h) -> root n (i) rotatory strength (vel)": [[1756, "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)": [[1756, "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)": [[1756, "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": [[1756, "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": [[1756, "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": [[1756, "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": [[1756, "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)": [[1756, "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)": [[1756, "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": [[1756, "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": [[1756, "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)": [[1756, "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)": [[1756, "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)": [[1756, "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": [[1756, "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)": [[1756, "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": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-ELECTRIC-TRANSITION-DIPOLE-MOMENT-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n excitation energy": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", false]], "td-fctl root 0 -> root n excitation energy - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector alpha": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n left eigenvector alpha - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n left eigenvector beta": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n left eigenvector beta - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n magnetic transition dipole moment": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", false]], "td-fctl root 0 -> root n magnetic transition dipole moment - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (len)": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", false]], "td-fctl root 0 -> root n oscillator strength (len) - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n oscillator strength (vel)": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", false]], "td-fctl root 0 -> root n oscillator strength (vel) - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector alpha": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA", false]], "td-fctl root 0 -> root n right eigenvector alpha - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-ALPHA-h-TRANSITION", false]], "td-fctl root 0 -> root n right eigenvector beta": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA", false]], "td-fctl root 0 -> root n right eigenvector beta - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-RIGHT-EIGENVECTOR-BETA-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (len)": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN", false]], "td-fctl root 0 -> root n rotatory strength (len) - h transition": [[1756, "psivar-TD-fctl-ROOT-0-ROOT-n-ROTATORY-STRENGTH-LEN-h-TRANSITION", false]], "td-fctl root 0 -> root n rotatory strength (vel)": [[1756, 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"tocwrite() (psi4.core.io method)": [[86, "psi4.core.IO.tocwrite", false]], "total_index() (psi4.core.ccwavefunction method)": [[11, "psi4.core.CCWavefunction.total_index", false]], "tpdm (detci)": [[1684, "term-TPDM-DETCI", true]], "tpdm() (psi4.core.ciwavefunction method)": [[13, "psi4.core.CIWavefunction.tpdm", false]], "tpdm_abcd_type (occ)": [[1684, "term-TPDM_ABCD_TYPE-OCC", true]], "trace() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.trace", false]], "trace() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.trace", false]], "tracelessquadrupoleint (class in psi4.core)": [[142, "psi4.core.TracelessQuadrupoleInt", false]], "transform() (psi4.core.dfhelper method)": [[27, "psi4.core.DFHelper.transform", false]], "transform() (psi4.core.matrix method)": [[100, "psi4.core.Matrix.transform", false]], "transform() (psi4.core.symmetryoperation method)": [[139, "psi4.core.SymmetryOperation.transform", false]], "transform_ci_integrals() 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"validate_diis() (psi4.core.hf method)": [[84, "psi4.core.HF.validate_diis", false]], "validate_options() (psi4.core.options method)": [[114, "psi4.core.Options.validate_options", false]], "validationerror": [[280, "psi4.driver.ValidationError", false]], "value (psi4.core.derivcalctype attribute)": [[62, "psi4.core.DerivCalcType.value", false]], "value (psi4.core.diagonalizeorder attribute)": [[63, "psi4.core.DiagonalizeOrder.value", false]], "value (psi4.core.fragmenttype attribute)": [[79, "psi4.core.FragmentType.value", false]], "value (psi4.core.gaussiantype attribute)": [[82, "psi4.core.GaussianType.value", false]], "value (psi4.core.geometryunits attribute)": [[83, "psi4.core.GeometryUnits.value", false]], "value (psi4.core.primitivetype attribute)": [[122, "psi4.core.PrimitiveType.value", false]], "value (psi4.core.psireturntype attribute)": [[126, "psi4.core.PsiReturnType.value", false]], "value (psi4.core.savetype attribute)": [[135, "psi4.core.SaveType.value", false]], 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"psi4.driver.driver_cbs.CompositeComputer.verbose", false]], "version() (in module psi4.core)": [[264, "psi4.core.version", false]], "vibanal_wfn() (in module psi4.driver)": [[399, "psi4.driver.vibanal_wfn", false]], "vibrational analysis": [[1752, "index-0", false], [1823, "index-1", false]], "vir() (psi4.core.mospace static method)": [[98, "psi4.core.MOSpace.vir", false]], "visualization": [[1730, "index-0", false], [1771, "index-0", false]], "vmdpath": [[1730, "envvar-VMDPATH", false], [1730, "index-1", false]], "vmfc": [[1774, "index-1", false]], "vmfc (psi4.driver.driver_nbody.bsseenum attribute)": [[1774, "psi4.driver.driver_nbody.BsseEnum.vmfc", false]], "vv10_b() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.vv10_b", false]], "vv10_c() (psi4.core.superfunctional method)": [[138, "psi4.core.SuperFunctional.vv10_c", false]], "vvals() (psi4.core.oeprop method)": [[111, "psi4.core.OEProp.Vvals", false]], "w() (psi4.core.blockopoints method)": [[9, 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[[276, "psi4.driver.SCFConvergenceError.wfn", false]], "wfn (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.wfn", false]], "wfn (scf)": [[1684, "term-WFN-SCF", true]], "wfn_sym (mcscf)": [[1684, "term-WFN_SYM-MCSCF", true]], "wfn_sym (psimrcc)": [[1684, "term-WFN_SYM-PSIMRCC", true]], "wfn_type (dfocc)": [[1684, "term-WFN_TYPE-DFOCC", true]], "wfn_type (occ)": [[1684, "term-WFN_TYPE-OCC", true]], "what (psi4.driver.tdscfconvergenceerror attribute)": [[277, "psi4.driver.TDSCFConvergenceError.what", false]], "wiberg lowdin indices": [[1756, "psivar-WIBERG-LOWDIN-INDICES", false]], "width (psi4.driver.p4util.inpsight attribute)": [[323, "psi4.driver.p4util.InPsight.width", false]], "wk() (psi4.core.jk method)": [[92, "psi4.core.JK.wK", false]], "write() (psi4.core.civector method)": [[12, "psi4.core.CIVector.write", false]], "write() (psi4.core.fchkwriter method)": [[74, "psi4.core.FCHKWriter.write", false]], "write() (psi4.core.moldenwriter 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"psivar-CISDT-CORRELATION-ENERGY", "CISDT CORRELATION ENERGY"], [1756, 9, 1, "psivar-CISDT-TOTAL-ENERGY", "CISDT TOTAL ENERGY"], [1756, 9, 1, "psivar-CISDTQ-CORRELATION-ENERGY", "CISDTQ CORRELATION ENERGY"], [1756, 9, 1, "psivar-CISDTQ-TOTAL-ENERGY", "CISDTQ TOTAL ENERGY"], [1756, 9, 1, "psivar-CIn-CORRELATION-ENERGY", "CIn CORRELATION ENERGY"], [1756, 9, 1, "psivar-CIn-TOTAL-ENERGY", "CIn TOTAL ENERGY"], [1747, 10, 1, "-", "CONDA_PREFIX"], [1756, 9, 1, "psivar-CP-CORRECTED-2-BODY-INTERACTION-ENERGY", "CP-CORRECTED 2-BODY INTERACTION ENERGY"], [1718, 10, 1, "-", "CRAYPE_LINK_TYPE"], [1718, 10, 1, "-", "CRAY_ADD_RPATH"], [1756, 9, 1, "psivar-CURRENT-CORRELATION-ENERGY", "CURRENT CORRELATION ENERGY"], [1756, 9, 1, "psivar-CURRENT-DIPOLE", "CURRENT DIPOLE"], [1756, 9, 1, "psivar-CURRENT-DIPOLE-GRADIENT", "CURRENT DIPOLE GRADIENT"], [1756, 9, 1, "psivar-CURRENT-ENERGY", "CURRENT ENERGY"], [1756, 9, 1, "psivar-CURRENT-GRADIENT", "CURRENT GRADIENT"], [1756, 9, 1, "psivar-CURRENT-HESSIAN", "CURRENT HESSIAN"], [1756, 9, 1, "psivar-CURRENT-REFERENCE-ENERGY", "CURRENT REFERENCE ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-LCCD-CORRELATION-ENERGY", "CUSTOM SCS-LCCD CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-LCCD-TOTAL-ENERGY", "CUSTOM SCS-LCCD TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-MP2-CORRELATION-ENERGY", "CUSTOM SCS-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-MP2-TOTAL-ENERGY", "CUSTOM SCS-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-MP3-CORRELATION-ENERGY", "CUSTOM SCS-MP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-MP3-TOTAL-ENERGY", "CUSTOM SCS-MP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OLCCD-CORRELATION-ENERGY", "CUSTOM SCS-OLCCD CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OLCCD-TOTAL-ENERGY", "CUSTOM SCS-OLCCD TOTAL ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OMP2-CORRELATION-ENERGY", "CUSTOM SCS-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-CUSTOM-SCS-OMP2-TOTAL-ENERGY", "CUSTOM SCS-OMP2 TOTAL 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"psivar-DFT-DIPOLE-GRADIENT", "DFT DIPOLE GRADIENT"], [1756, 9, 1, "psivar-DFT-FUNCTIONAL-TOTAL-ENERGY", "DFT FUNCTIONAL TOTAL ENERGY"], [1756, 9, 1, "psivar-DFT-TOTAL-ENERGY", "DFT TOTAL ENERGY"], [1756, 9, 1, "psivar-DFT-TOTAL-GRADIENT", "DFT TOTAL GRADIENT"], [1756, 9, 1, "psivar-DFT-TOTAL-HESSIAN", "DFT TOTAL HESSIAN"], [1756, 9, 1, "psivar-DFT-VV10-ENERGY", "DFT VV10 ENERGY"], [1756, 9, 1, "psivar-DFT-XC-ENERGY", "DFT XC ENERGY"], [1756, 9, 1, "psivar-DISPERSION-CORRECTION-ENERGY", "DISPERSION CORRECTION ENERGY"], [1756, 9, 1, "psivar-DMA-DISTRIBUTED-MULTIPOLES", "DMA DISTRIBUTED MULTIPOLES"], [1756, 9, 1, "psivar-DMA-TOTAL-MULTIPOLES", "DMA TOTAL MULTIPOLES"], [1756, 9, 1, "psivar-DMRG-CASPT2-TOTAL-ENERGY", "DMRG-CASPT2 TOTAL ENERGY"], [1756, 9, 1, "psivar-DMRG-SCF-TOTAL-ENERGY", "DMRG-SCF TOTAL ENERGY"], [1756, 9, 1, "psivar-DOUBLE-HYBRID-CORRECTION-ENERGY", "DOUBLE-HYBRID CORRECTION ENERGY"], [1756, 9, 1, "psivar-EFP-DISP-ENERGY", "EFP DISP ENERGY"], [1756, 9, 1, "psivar-EFP-ELST-ENERGY", "EFP ELST ENERGY"], [1756, 9, 1, "psivar-EFP-EXCH-ENERGY", "EFP EXCH ENERGY"], [1756, 9, 1, "psivar-EFP-IND-ENERGY", "EFP IND ENERGY"], [1756, 9, 1, "psivar-EFP-TORQUE", "EFP TORQUE"], [1756, 9, 1, "psivar-EFP-TOTAL-ENERGY", "EFP TOTAL ENERGY"], [1756, 9, 1, "-", "ENTHALPY"], [1756, 9, 1, "psivar-ENTHALPY-CORRECTION", "ENTHALPY CORRECTION"], [1756, 9, 1, "psivar-ESP-AT-CENTER-n", "ESP AT CENTER n"], [1756, 9, 1, "psivar-FCI-CORRELATION-ENERGY", "FCI CORRELATION ENERGY"], [1756, 9, 1, "psivar-FCI-TOTAL-ENERGY", "FCI TOTAL ENERGY"], [1756, 9, 1, "psivar-FINDIF-NUMBER", "FINDIF NUMBER"], [1756, 9, 1, "psivar-GIBBS-FREE-ENERGY", "GIBBS FREE ENERGY"], [1756, 9, 1, "psivar-GIBBS-FREE-ENERGY-CORRECTION", "GIBBS FREE ENERGY CORRECTION"], [1756, 9, 1, "psivar-GRID-ELECTRONS-ALPHA", "GRID ELECTRONS ALPHA"], [1756, 9, 1, "psivar-GRID-ELECTRONS-BETA", "GRID ELECTRONS BETA"], [1756, 9, 1, "psivar-GRID-ELECTRONS-TOTAL", "GRID ELECTRONS TOTAL"], [1756, 9, 1, "psivar-HF-DIPOLE-GRADIENT", "HF DIPOLE GRADIENT"], [1756, 9, 1, "psivar-HF-KINETIC-ENERGY", "HF KINETIC ENERGY"], [1756, 9, 1, "psivar-HF-POTENTIAL-ENERGY", "HF POTENTIAL ENERGY"], [1756, 9, 1, "psivar-HF-TOTAL-ENERGY", "HF TOTAL ENERGY"], [1756, 9, 1, "psivar-HF-TOTAL-GRADIENT", "HF TOTAL GRADIENT"], [1756, 9, 1, "psivar-HF-TOTAL-HESSIAN", "HF TOTAL HESSIAN"], [1756, 9, 1, "psivar-HF-VIRIAL-RATIO", "HF VIRIAL RATIO"], [1747, 10, 1, "-", "HOST"], [1756, 9, 1, "psivar-LCC2-LMP2-TOTAL-ENERGY", "LCC2 (+LMP2) TOTAL ENERGY"], [1756, 9, 1, "psivar-LCCD-CORRELATION-ENERGY", "LCCD CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCD-DOUBLES-ENERGY", "LCCD DOUBLES ENERGY"], [1756, 9, 1, "psivar-LCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCD-SAME-SPIN-CORRELATION-ENERGY", "LCCD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCD-SINGLES-ENERGY", "LCCD SINGLES ENERGY"], [1756, 9, 1, "psivar-LCCD-TOTAL-ENERGY", "LCCD TOTAL ENERGY"], [1756, 9, 1, "psivar-LCCSD-LMP2-TOTAL-ENERGY", "LCCSD (+LMP2) TOTAL ENERGY"], [1756, 9, 1, "psivar-LCCSD-CORRELATION-ENERGY", "LCCSD CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCSD-DOUBLES-ENERGY", "LCCSD DOUBLES ENERGY"], [1756, 9, 1, "psivar-LCCSD-OPPOSITE-SPIN-CORRELATION-ENERGY", "LCCSD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCSD-SAME-SPIN-CORRELATION-ENERGY", "LCCSD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-LCCSD-SINGLES-ENERGY", "LCCSD SINGLES ENERGY"], [1756, 9, 1, "psivar-LCCSD-TOTAL-ENERGY", "LCCSD TOTAL ENERGY"], [1756, 9, 1, "psivar-LEFT-RIGHT-CC2-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC2 EIGENVECTOR OVERLAP"], [1756, 9, 1, "psivar-LEFT-RIGHT-CC3-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CC3 EIGENVECTOR OVERLAP"], [1756, 9, 1, "psivar-LEFT-RIGHT-CCSD-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD EIGENVECTOR OVERLAP"], [1756, 9, 1, "psivar-LEFT-RIGHT-CCSD-T-EIGENVECTOR-OVERLAP", "LEFT-RIGHT CCSD(T) EIGENVECTOR OVERLAP"], [1756, 9, 1, "psivar-LOWDIN-CHARGES", "LOWDIN CHARGES"], [1718, 10, 1, "-", "MATH_ROOT"], [1756, 9, 1, "psivar-MAYER-INDICES", "MAYER INDICES"], [1756, 9, 1, "psivar-MBIS-CHARGES", "MBIS CHARGES"], [1756, 9, 1, "psivar-MBIS-DIPOLES", "MBIS DIPOLES"], [1756, 9, 1, "psivar-MBIS-FREE-ATOM-n-VOLUME", "MBIS FREE ATOM n VOLUME"], [1756, 9, 1, "psivar-MBIS-OCTUPOLES", "MBIS OCTUPOLES"], [1756, 9, 1, "psivar-MBIS-QUADRUPOLES", "MBIS QUADRUPOLES"], [1756, 9, 1, "psivar-MBIS-RADIAL-MOMENTS-R-3", "MBIS RADIAL MOMENTS &lt;R^3&gt;"], [1756, 9, 1, "psivar-MBIS-VALENCE-WIDTHS", "MBIS VALENCE WIDTHS"], [1756, 9, 1, "psivar-MBIS-VOLUME-RATIOS", "MBIS VOLUME RATIOS"], [1756, 9, 1, "psivar-MCSCF-TOTAL-ENERGY", "MCSCF TOTAL ENERGY"], [1747, 10, 1, "-", "MKL_NUM_THREADS"], [1718, 10, 1, "-", "MKL_ROOT"], [1730, 10, 1, "-", "MONTAGE"], [1756, 9, 1, "psivar-MP2-ALPHA-ALPHA-PAIR-ENERGIES", "MP2 ALPHA-ALPHA PAIR ENERGIES"], [1756, 9, 1, "psivar-MP2-ALPHA-BETA-PAIR-ENERGIES", "MP2 ALPHA-BETA PAIR ENERGIES"], [1756, 9, 1, "psivar-MP2-CORRELATION-ENERGY", "MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP2-DIPOLE-GRADIENT", "MP2 DIPOLE GRADIENT"], [1756, 9, 1, "psivar-MP2-DOUBLES-ENERGY", "MP2 DOUBLES ENERGY"], [1756, 9, 1, "psivar-MP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP2-SAME-SPIN-CORRELATION-ENERGY", "MP2 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP2-SINGLES-ENERGY", "MP2 SINGLES ENERGY"], [1756, 9, 1, "psivar-MP2-SINGLET-PAIR-ENERGIES", "MP2 SINGLET PAIR ENERGIES"], [1756, 9, 1, "psivar-MP2-TOTAL-ENERGY", "MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-MP2-TOTAL-GRADIENT", "MP2 TOTAL GRADIENT"], [1756, 9, 1, "psivar-MP2-TOTAL-HESSIAN", "MP2 TOTAL HESSIAN"], [1756, 9, 1, "psivar-MP2-TRIPLET-PAIR-ENERGIES", "MP2 TRIPLET PAIR ENERGIES"], [1756, 9, 1, "psivar-MP2-CCSD-TOTAL-ENERGY", "MP2-CCSD TOTAL ENERGY"], [1756, 9, 1, "psivar-MP3-CORRELATION-ENERGY", "MP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP3-DOUBLES-ENERGY", "MP3 DOUBLES ENERGY"], [1756, 9, 1, "psivar-MP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "MP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP3-SAME-SPIN-CORRELATION-ENERGY", "MP3 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP3-SINGLES-ENERGY", "MP3 SINGLES ENERGY"], [1756, 9, 1, "psivar-MP3-TOTAL-ENERGY", "MP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-MP4-CORRELATION-ENERGY", "MP4 CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP4-TOTAL-ENERGY", "MP4 TOTAL ENERGY"], [1756, 9, 1, "psivar-MP4-SDQ-CORRELATION-ENERGY", "MP4(SDQ) CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP4-SDQ-TOTAL-ENERGY", "MP4(SDQ) TOTAL ENERGY"], [1756, 9, 1, "psivar-MP4-SDTQ-CORRELATION-ENERGY", "MP4(SDTQ) CORRELATION ENERGY"], [1756, 9, 1, "psivar-MP4-SDTQ-TOTAL-ENERGY", "MP4(SDTQ) TOTAL ENERGY"], [1756, 9, 1, "psivar-MP4-T-CORRECTION-ENERGY", "MP4(T) CORRECTION ENERGY"], [1756, 9, 1, "psivar-MPn-CORRELATION-ENERGY", "MPn CORRELATION ENERGY"], [1756, 9, 1, "psivar-MPn-TOTAL-ENERGY", "MPn TOTAL ENERGY"], [1756, 9, 1, "psivar-MRCC-TOTAL-ENERGY", "MRCC TOTAL ENERGY"], [1756, 9, 1, "psivar-MRPT-TOTAL-ENERGY", "MRPT TOTAL ENERGY"], [1756, 9, 1, "psivar-MULLIKEN-CHARGES", "MULLIKEN CHARGES"], [1756, 9, 1, "psivar-NAUX-CC", "NAUX (CC)"], [1756, 9, 1, "psivar-NAUX-SCF", "NAUX (SCF)"], [1756, 9, 1, "psivar-NBODY-NUMBER", "NBODY NUMBER"], [1756, 9, 1, "psivar-NUCLEAR-REPULSION-ENERGY", "NUCLEAR REPULSION ENERGY"], [1756, 9, 1, "psivar-OCEPA-0-CORRELATION-ENERGY", "OCEPA(0) CORRELATION ENERGY"], [1756, 9, 1, "psivar-OCEPA-0-TOTAL-ENERGY", "OCEPA(0) TOTAL ENERGY"], [1756, 9, 1, "psivar-OLCCD-CORRELATION-ENERGY", "OLCCD CORRELATION ENERGY"], [1756, 9, 1, "psivar-OLCCD-DOUBLES-ENERGY", "OLCCD DOUBLES ENERGY"], [1756, 9, 1, "psivar-OLCCD-OPPOSITE-SPIN-CORRELATION-ENERGY", "OLCCD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OLCCD-REFERENCE-CORRECTION-ENERGY", "OLCCD REFERENCE CORRECTION ENERGY"], [1756, 9, 1, "psivar-OLCCD-SAME-SPIN-CORRELATION-ENERGY", "OLCCD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OLCCD-SINGLES-ENERGY", "OLCCD SINGLES ENERGY"], [1756, 9, 1, "psivar-OLCCD-TOTAL-ENERGY", "OLCCD TOTAL ENERGY"], [1756, 9, 1, "psivar-OMP2-CORRELATION-ENERGY", "OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP2-DOUBLES-ENERGY", "OMP2 DOUBLES ENERGY"], [1756, 9, 1, "psivar-OMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP2-REFERENCE-CORRECTION-ENERGY", "OMP2 REFERENCE CORRECTION ENERGY"], [1756, 9, 1, "psivar-OMP2-SAME-SPIN-CORRELATION-ENERGY", "OMP2 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP2-TOTAL-ENERGY", "OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-OMP3-CORRELATION-ENERGY", "OMP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP3-DOUBLES-ENERGY", "OMP3 DOUBLES ENERGY"], [1756, 9, 1, "psivar-OMP3-OPPOSITE-SPIN-CORRELATION-ENERGY", "OMP3 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP3-REFERENCE-CORRECTION-ENERGY", "OMP3 REFERENCE CORRECTION ENERGY"], [1756, 9, 1, "psivar-OMP3-SAME-SPIN-CORRELATION-ENERGY", "OMP3 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OMP3-TOTAL-ENERGY", "OMP3 TOTAL ENERGY"], [1747, 10, 1, "-", "OMP_NESTED"], [1747, 10, 1, "-", "OMP_NUM_THREADS"], [1756, 9, 1, "psivar-ONE-ELECTRON-ENERGY", "ONE-ELECTRON ENERGY"], [1756, 9, 1, "psivar-OPTIMIZATION-ITERATIONS", "OPTIMIZATION ITERATIONS"], [1756, 9, 1, "psivar-OREMP2-CORRELATION-ENERGY", "OREMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-OREMP2-DOUBLES-ENERGY", "OREMP2 DOUBLES ENERGY"], [1756, 9, 1, "psivar-OREMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "OREMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OREMP2-REFERENCE-CORRECTION-ENERGY", "OREMP2 REFERENCE CORRECTION ENERGY"], [1756, 9, 1, "psivar-OREMP2-SAME-SPIN-CORRELATION-ENERGY", "OREMP2 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-OREMP2-SINGLES-ENERGY", "OREMP2 SINGLES ENERGY"], [1756, 9, 1, "psivar-OREMP2-TOTAL-ENERGY", "OREMP2 TOTAL ENERGY"], [1747, 10, 1, "-", "PATH"], [1756, 9, 1, "psivar-PCM-POLARIZATION-ENERGY", "PCM POLARIZATION ENERGY"], [1756, 9, 1, "psivar-PE-ENERGY", "PE ENERGY"], [1747, 10, 1, "-", "PSIDATADIR"], [1747, 10, 1, "-", "PSIPATH"], [1747, 10, 1, "-", "PSI_SCRATCH"], [1747, 10, 1, "-", "PYTHONPATH"], [1756, 9, 1, "psivar-QCISD-CORRELATION-ENERGY", "QCISD CORRELATION ENERGY"], [1756, 9, 1, "psivar-QCISD-DOUBLES-ENERGY", "QCISD DOUBLES ENERGY"], [1756, 9, 1, "psivar-QCISD-OPPOSITE-SPIN-CORRELATION-ENERGY", "QCISD OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-QCISD-SAME-SPIN-CORRELATION-ENERGY", "QCISD SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-QCISD-SINGLES-ENERGY", "QCISD SINGLES ENERGY"], [1756, 9, 1, "psivar-QCISD-TOTAL-ENERGY", "QCISD TOTAL ENERGY"], [1756, 9, 1, "psivar-QCISD-T-CORRECTION-ENERGY", "QCISD(T) CORRECTION ENERGY"], [1756, 9, 1, "psivar-QCISD-T-CORRELATION-ENERGY", "QCISD(T) CORRELATION ENERGY"], [1756, 9, 1, "psivar-QCISD-T-TOTAL-ENERGY", "QCISD(T) TOTAL ENERGY"], [1756, 9, 1, "psivar-REMP2-CORRELATION-ENERGY", "REMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-REMP2-DOUBLES-ENERGY", "REMP2 DOUBLES ENERGY"], [1756, 9, 1, "psivar-REMP2-OPPOSITE-SPIN-CORRELATION-ENERGY", "REMP2 OPPOSITE-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-REMP2-SAME-SPIN-CORRELATION-ENERGY", "REMP2 SAME-SPIN CORRELATION ENERGY"], [1756, 9, 1, "psivar-REMP2-SINGLES-ENERGY", "REMP2 SINGLES ENERGY"], [1756, 9, 1, "psivar-REMP2-TOTAL-ENERGY", "REMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT-ALPHA", "SAPT ALPHA"], [1756, 9, 1, "psivar-SAPT-CT-ENERGY", "SAPT CT ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP-ENERGY", "SAPT DISP ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP2-CCD-ENERGY", "SAPT DISP2(CCD) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP20-ENERGY", "SAPT DISP20 ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP21-ENERGY", "SAPT DISP21 ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP22-S-CCD-ENERGY", "SAPT DISP22(S)(CCD) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP22-SDQ-ENERGY", "SAPT DISP22(SDQ) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP22-T-ENERGY", "SAPT DISP22(T) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP22-T-CCD-ENERGY", "SAPT DISP22(T)(CCD) ENERGY"], [1756, 9, 1, "psivar-SAPT-DISP30-ENERGY", "SAPT DISP30 ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST-ENERGY", "SAPT ELST ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST-EXTERN-EXTERN-ENERGY", "SAPT ELST EXTERN-EXTERN ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST10-R-ENERGY", "SAPT ELST10,R ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST12-R-ENERGY", "SAPT ELST12,R ENERGY"], [1756, 9, 1, "psivar-SAPT-ELST13-R-ENERGY", "SAPT ELST13,R ENERGY"], [1756, 9, 1, "psivar-SAPT-ENERGY", "SAPT ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-ENERGY", "SAPT EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-DISP20-ENERGY", "SAPT EXCH-DISP20 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-DISP20-S-INF-ENERGY", "SAPT EXCH-DISP20(S^INF) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-DISP30-ENERGY", "SAPT EXCH-DISP30 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND-DISP30-ENERGY", "SAPT EXCH-IND-DISP30 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND20-R-ENERGY", "SAPT EXCH-IND20,R ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND20-U-ENERGY", "SAPT EXCH-IND20,U ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND22-ENERGY", "SAPT EXCH-IND22 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND30-S-INF-ENERGY", "SAPT EXCH-IND30(S^INF) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND30-R-ENERGY", "SAPT EXCH-IND30,R ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH-IND30-R-S-INF-ENERGY", "SAPT EXCH-IND30,R(S^INF) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH10-ENERGY", "SAPT EXCH10 ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH10-S-2-ENERGY", "SAPT EXCH10(S^2) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH11-S-2-ENERGY", "SAPT EXCH11(S^2) ENERGY"], [1756, 9, 1, "psivar-SAPT-EXCH12-S-2-ENERGY", "SAPT EXCH12(S^2) ENERGY"], [1756, 9, 1, "psivar-SAPT-HF-TOTAL-ENERGY", "SAPT HF TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-0", "SAPT HF(2) ENERGY A(0)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-A-HF", "SAPT HF(2) ENERGY A(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-AB-HF", "SAPT HF(2) ENERGY AB(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-ABC-HF", "SAPT HF(2) ENERGY ABC(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-0", "SAPT HF(2) ENERGY AC(0)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-AC-HF", "SAPT HF(2) ENERGY AC(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-0", "SAPT HF(2) ENERGY B(0)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-B-HF", "SAPT HF(2) ENERGY B(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-0", "SAPT HF(2) ENERGY BC(0)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-BC-HF", "SAPT HF(2) ENERGY BC(HF)"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-C", "SAPT HF(2) ENERGY C"], [1756, 9, 1, "psivar-SAPT-HF-2-ENERGY-HF", "SAPT HF(2) ENERGY HF"], [1756, 9, 1, "psivar-SAPT-IND-ENERGY", "SAPT IND ENERGY"], [1756, 9, 1, "psivar-SAPT-IND-DISP30-ENERGY", "SAPT IND-DISP30 ENERGY"], [1756, 9, 1, "psivar-SAPT-IND20-R-ENERGY", "SAPT IND20,R ENERGY"], [1756, 9, 1, "psivar-SAPT-IND20-U-ENERGY", "SAPT IND20,U ENERGY"], [1756, 9, 1, "psivar-SAPT-IND22-ENERGY", "SAPT IND22 ENERGY"], [1756, 9, 1, "psivar-SAPT-IND30-R-ENERGY", "SAPT IND30,R ENERGY"], [1756, 9, 1, "psivar-SAPT-MP2-CORRELATION-ENERGY", "SAPT MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SAPT-SAME-SPIN-DISP20-ENERGY", "SAPT SAME-SPIN DISP20 ENERGY"], [1756, 9, 1, "psivar-SAPT-SAME-SPIN-EXCH-DISP20-ENERGY", "SAPT SAME-SPIN EXCH-DISP20 ENERGY"], [1756, 9, 1, "psivar-SAPT-TOTAL-ENERGY", "SAPT TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT0-DISP-ENERGY", "SAPT0 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT0-ELST-ENERGY", "SAPT0 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT0-EXCH-ENERGY", "SAPT0 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT0-IND-ENERGY", "SAPT0 IND ENERGY"], [1756, 9, 1, "psivar-SAPT0-TOTAL-ENERGY", "SAPT0 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-DISP-ENERGY", "SAPT2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-ELST-ENERGY", "SAPT2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-EXCH-ENERGY", "SAPT2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-IND-ENERGY", "SAPT2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-TOTAL-ENERGY", "SAPT2 TOTAL ENERGY"], [1756, 9, 1, "psivar-1", "SAPT2+ DISP ENERGY"], [1756, 9, 1, "psivar-2", "SAPT2+ ELST ENERGY"], [1756, 9, 1, "psivar-3", "SAPT2+ EXCH ENERGY"], [1756, 9, 1, "psivar-4", "SAPT2+ IND ENERGY"], [1756, 9, 1, "psivar-9", "SAPT2+ TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DISP-ENERGY", "SAPT2+(3) DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-ELST-ENERGY", "SAPT2+(3) ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-EXCH-ENERGY", "SAPT2+(3) EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-IND-ENERGY", "SAPT2+(3) IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-TOTAL-ENERGY", "SAPT2+(3) TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DISP-ENERGY", "SAPT2+(3)(CCD) DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-ELST-ENERGY", "SAPT2+(3)(CCD) ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-EXCH-ENERGY", "SAPT2+(3)(CCD) EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-IND-ENERGY", "SAPT2+(3)(CCD) IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-TOTAL-ENERGY", "SAPT2+(3)(CCD) TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-DISP-ENERGY", "SAPT2+(3)(CCD)DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-ELST-ENERGY", "SAPT2+(3)(CCD)DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-EXCH-ENERGY", "SAPT2+(3)(CCD)DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-IND-ENERGY", "SAPT2+(3)(CCD)DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(3)(CCD)DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-DISP-ENERGY", "SAPT2+(3)DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-ELST-ENERGY", "SAPT2+(3)DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-EXCH-ENERGY", "SAPT2+(3)DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-IND-ENERGY", "SAPT2+(3)DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3-DMP2-TOTAL-ENERGY", "SAPT2+(3)DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DISP-ENERGY", "SAPT2+(CCD) DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-ELST-ENERGY", "SAPT2+(CCD) ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-EXCH-ENERGY", "SAPT2+(CCD) EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-IND-ENERGY", "SAPT2+(CCD) IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-TOTAL-ENERGY", "SAPT2+(CCD) TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-DISP-ENERGY", "SAPT2+(CCD)DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-ELST-ENERGY", "SAPT2+(CCD)DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-EXCH-ENERGY", "SAPT2+(CCD)DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-IND-ENERGY", "SAPT2+(CCD)DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-CCD-DMP2-TOTAL-ENERGY", "SAPT2+(CCD)DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-5", "SAPT2+3 DISP ENERGY"], [1756, 9, 1, "psivar-6", "SAPT2+3 ELST ENERGY"], [1756, 9, 1, "psivar-7", "SAPT2+3 EXCH ENERGY"], [1756, 9, 1, "psivar-8", "SAPT2+3 IND ENERGY"], [1756, 9, 1, "psivar-10", "SAPT2+3 TOTAL ENERGY"], [1756, 9, 1, "psivar-11", "SAPT2+3(CCD) DISP ENERGY"], [1756, 9, 1, "psivar-12", "SAPT2+3(CCD) ELST ENERGY"], [1756, 9, 1, "psivar-13", "SAPT2+3(CCD) EXCH ENERGY"], [1756, 9, 1, "psivar-14", "SAPT2+3(CCD) IND ENERGY"], [1756, 9, 1, "psivar-15", "SAPT2+3(CCD) TOTAL ENERGY"], [1756, 9, 1, "psivar-16", "SAPT2+3(CCD)DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-17", "SAPT2+3(CCD)DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-18", "SAPT2+3(CCD)DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-19", "SAPT2+3(CCD)DMP2 IND ENERGY"], [1756, 9, 1, "psivar-20", "SAPT2+3(CCD)DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-DISP-ENERGY", "SAPT2+3DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-ELST-ENERGY", "SAPT2+3DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-EXCH-ENERGY", "SAPT2+3DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-IND-ENERGY", "SAPT2+3DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-3DMP2-TOTAL-ENERGY", "SAPT2+3DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-DISP-ENERGY", "SAPT2+DMP2 DISP ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-ELST-ENERGY", "SAPT2+DMP2 ELST ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-EXCH-ENERGY", "SAPT2+DMP2 EXCH ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-IND-ENERGY", "SAPT2+DMP2 IND ENERGY"], [1756, 9, 1, "psivar-SAPT2-DMP2-TOTAL-ENERGY", "SAPT2+DMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCF-DIPOLE", "SCF DIPOLE"], [1756, 9, 1, "psivar-SCF-DIPOLE-GRADIENT", "SCF DIPOLE GRADIENT"], [1756, 9, 1, "psivar-SCF-ITERATIONS", "SCF ITERATIONS"], [1756, 9, 1, "psivar-SCF-QUADRUPOLE", "SCF QUADRUPOLE"], [1756, 9, 1, "psivar-SCF-STABILITY-EIGENVALUES", "SCF STABILITY EIGENVALUES"], [1756, 9, 1, "psivar-SCF-TOTAL-ENERGY", "SCF TOTAL ENERGY"], [1756, 9, 1, "psivar-SCF-TOTAL-GRADIENT", "SCF TOTAL GRADIENT"], [1756, 9, 1, "psivar-SCF-TOTAL-HESSIAN", "SCF TOTAL HESSIAN"], [1756, 9, 1, "psivar-SCS-N-MP2-CORRELATION-ENERGY", "SCS(N)-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-N-MP2-TOTAL-ENERGY", "SCS(N)-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-N-OMP2-CORRELATION-ENERGY", "SCS(N)-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-N-OMP2-TOTAL-ENERGY", "SCS(N)-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-CCSD-CORRELATION-ENERGY", "SCS-CCSD CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-CCSD-TOTAL-ENERGY", "SCS-CCSD TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-MP2-CORRELATION-ENERGY", "SCS-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-MP2-TOTAL-ENERGY", "SCS-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-MP2-VDW-CORRELATION-ENERGY", "SCS-MP2-VDW CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-MP2-VDW-TOTAL-ENERGY", "SCS-MP2-VDW TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-MP3-CORRELATION-ENERGY", "SCS-MP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-MP3-TOTAL-ENERGY", "SCS-MP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-OMP2-CORRELATION-ENERGY", "SCS-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-OMP2-TOTAL-ENERGY", "SCS-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCS-OMP3-CORRELATION-ENERGY", "SCS-OMP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCS-OMP3-TOTAL-ENERGY", "SCS-OMP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-SCSN-OMP2-CORRELATION-ENERGY", "SCSN-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SCSN-OMP2-TOTAL-ENERGY", "SCSN-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SOS-MP2-CORRELATION-ENERGY", "SOS-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SOS-MP2-TOTAL-ENERGY", "SOS-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SOS-OMP2-CORRELATION-ENERGY", "SOS-OMP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SOS-OMP2-TOTAL-ENERGY", "SOS-OMP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SOS-OMP3-CORRELATION-ENERGY", "SOS-OMP3 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SOS-OMP3-TOTAL-ENERGY", "SOS-OMP3 TOTAL ENERGY"], [1756, 9, 1, "psivar-SOS-PI-MP2-CORRELATION-ENERGY", "SOS-PI-MP2 CORRELATION ENERGY"], [1756, 9, 1, "psivar-SOS-PI-MP2-TOTAL-ENERGY", "SOS-PI-MP2 TOTAL ENERGY"], [1756, 9, 1, "psivar-SSAPT0-DISP-ENERGY", "SSAPT0 DISP ENERGY"], [1756, 9, 1, "psivar-SSAPT0-ELST-ENERGY", "SSAPT0 ELST ENERGY"], [1756, 9, 1, "psivar-SSAPT0-EXCH-ENERGY", "SSAPT0 EXCH ENERGY"], [1756, 9, 1, "psivar-SSAPT0-IND-ENERGY", "SSAPT0 IND ENERGY"], [1756, 9, 1, "psivar-SSAPT0-TOTAL-ENERGY", "SSAPT0 TOTAL ENERGY"], [1756, 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)"], [1756, 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)"], [1756, 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"], [1756, 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"], [1756, 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"], [1756, 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"], [1756, 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)"], [1756, 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)"], [1756, 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"], [1756, 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"], [1756, 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)"], [1756, 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)"], [1756, 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)"], [1756, 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)"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-h-ROOT-n-i-EXCITATION-ENERGY", "TD-fctl ROOT 0 (h) -&gt; ROOT n (i) EXCITATION ENERGY"], [1756, 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"], [1756, 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"], [1756, 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"], [1756, 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)"], [1756, 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)"], [1756, 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"], [1756, 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"], [1756, 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)"], [1756, 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)"], [1756, 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)"], [1756, 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"], [1756, 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)"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-EXCITATION-ENERGY-h-TRANSITION", "TD-fctl ROOT 0 -&gt; ROOT n EXCITATION ENERGY - h TRANSITION"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-ALPHA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR ALPHA"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-LEFT-EIGENVECTOR-BETA", "TD-fctl ROOT 0 -&gt; ROOT n LEFT EIGENVECTOR BETA"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-MAGNETIC-TRANSITION-DIPOLE-MOMENT", "TD-fctl ROOT 0 -&gt; ROOT n MAGNETIC TRANSITION DIPOLE MOMENT"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-LEN", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (LEN)"], [1756, 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"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL", "TD-fctl ROOT 0 -&gt; ROOT n OSCILLATOR STRENGTH (VEL)"], [1756, 9, 1, "psivar-TD-fctl-ROOT-0-ROOT-n-OSCILLATOR-STRENGTH-VEL-h-TRANSITION", "TD-fctl ROOT 0 -&gt; 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1742, 1743, 1744, 1745, 1746, 1747, 1748, 1749, 1750, 1751, 1752, 1753, 1754, 1755, 1756, 1757, 1758, 1759, 1760, 1761, 1762, 1763, 1764, 1765, 1766, 1767, 1768, 1769, 1770, 1771, 1772, 1773, 1774, 1775, 1776, 1777, 1778, 1779, 1780, 1781, 1782, 1783, 1784, 1785, 1786, 1787, 1788, 1789, 1790, 1791, 1792, 1793, 1794, 1795, 1796, 1797, 1798, 1799, 1800, 1801, 1802, 1803, 1804, 1805, 1806, 1807, 1809, 1810, 1811, 1812, 1813, 1814, 1815, 1816, 1817, 1818, 1819, 1820, 1821, 1822, 1823, 1824], "\u03c8": 13}, "titles": ["ADC: Ab Initio Polarization Propagator", "Interface to adcc 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", "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": {"": [884, 1210, 1715, 1718, 1726, 1739, 1754, 1765, 1817], "0": 1801, "1": [1713, 1750, 1818], "2": 1768, "2nd": 1736, "3": 1768, "3rc1": 1768, "4": [1674, 1675, 1676, 1677, 1679, 1680, 1681, 1682, 1686, 1687, 1688, 1711, 1712, 1713, 1715, 1716, 1717, 1718, 1719, 1722, 1723, 1726, 1728, 1738, 1744, 1757, 1758, 1760, 1761, 1777, 1779, 1782, 1784, 1790, 1794, 1795, 1796, 1797, 1798, 1799, 1804, 1805, 1807, 1810, 1813, 1818, 1824], "8": 1768, "82": [1674, 1675, 1676, 1677, 1679, 1680, 1681, 1682, 1686, 1687, 1688, 1711, 1712, 1713, 1715, 1716, 1717, 1719, 1722, 1723, 1726, 1728, 1738, 1744, 1757, 1758, 1760, 1761, 1777, 1779, 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index b483f8eeb6c..14569c664f8 100644
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+    <script src="_static/documentation_options.js?v=c8742349"></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, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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+    <script src="_static/documentation_options.js?v=c8742349"></script>
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     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
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     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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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>
@@ -729,7 +729,7 @@ <h3>Navigation</h3>
 
     <div class="footer" role="contentinfo">
     &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Thursday, 08 August 2024 07:26PM.
+      Last updated on Thursday, 15 August 2024 09:16AM.
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