auto-generated from Psi4 master

sphinxman/master/.buildinfo

@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 70db07cb7d6d084f64e5aa64ea90049b
+config: e58bdef911a7a8cbc49c311944b4e2d2
 tags: 645f666f9bcd5a90fca523b33c5a78b7

sphinxman/master/_modules/index.html

@@ -38,15 +38,15 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
     <title>Overview: module code</title>
-    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=0fcd75a3" />
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=88a353b9" />
     <link rel="stylesheet" type="text/css" href="../_static/psi4.css?v=5cda37dd" />
     <link rel="stylesheet" type="text/css" href="../_static/graphviz.css?v=fd3f3429" />
     <link rel="stylesheet" type="text/css" href="../_static/autodoc_pydantic.css" />
     <link rel="stylesheet" type="text/css" href="../_static/tabs.css?v=a5c4661c" />
     <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=57dca472"></script>
+    <script src="../_static/documentation_options.js?v=849d6b58"></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/a25e716">1.10a1.dev62</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/9fa19f9">1.10a1.dev63</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>
@@ -210,7 +210,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/index.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/a25e716">1.10a1.dev62</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/9fa19f9">1.10a1.dev63</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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@@ -222,8 +222,8 @@ <h3>Navigation</h3>
     </div>
 
     <div class="footer" role="contentinfo">
-    &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Friday, 13 December 2024 01:31AM.
+    &#169; Copyright 2007-2025, The Psi4 Project.
+      Last updated on Wednesday, 08 January 2025 01:53PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->

sphinxman/master/_modules/psi4/driver/aliases.html

@@ -38,15 +38,15 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
     <title>psi4.driver.aliases</title>
-    <link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=0fcd75a3" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=88a353b9" />
     <link rel="stylesheet" type="text/css" href="../../../_static/psi4.css?v=5cda37dd" />
     <link rel="stylesheet" type="text/css" href="../../../_static/graphviz.css?v=fd3f3429" />
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-    <script src="../../../_static/documentation_options.js?v=57dca472"></script>
+    <script src="../../../_static/documentation_options.js?v=849d6b58"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/tabs.js?v=3030b3cb"></script>
@@ -92,7 +92,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/aliases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/a25e716">1.10a1.dev62</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/9fa19f9">1.10a1.dev63</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>
@@ -153,7 +153,7 @@ <h1>Source code for psi4.driver.aliases</h1><div class="highlight"><pre>
     <span class="s2">&quot;sherrill_gold_standard&quot;</span><span class="p">,</span>
 <span class="p">]</span>
 
-<span class="kn">from</span> <span class="nn">typing</span> <span class="kn">import</span> <span class="n">Any</span><span class="p">,</span> <span class="n">Dict</span><span class="p">,</span> <span class="n">List</span>
+<span class="kn">from</span><span class="w"> </span><span class="nn">typing</span><span class="w"> </span><span class="kn">import</span> <span class="n">Any</span><span class="p">,</span> <span class="n">Dict</span><span class="p">,</span> <span class="n">List</span>
 
 <span class="n">CBSMetadata</span> <span class="o">=</span> <span class="n">List</span><span class="p">[</span><span class="n">Dict</span><span class="p">[</span><span class="nb">str</span><span class="p">,</span> <span class="n">Any</span><span class="p">]]</span>
 
@@ -162,7 +162,7 @@ <h1>Source code for psi4.driver.aliases</h1><div class="highlight"><pre>
 <span class="c1"># of this file.</span>
 
 
-<span class="k">def</span> <span class="nf">fake_file11</span><span class="p">(</span><span class="n">wfn</span><span class="p">:</span> <span class="s2">&quot;psi4.core.Wavefunction&quot;</span><span class="p">,</span> <span class="n">filename</span><span class="p">:</span> <span class="nb">str</span> <span class="o">=</span> <span class="s1">&#39;fake_file11.dat&#39;</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">fake_file11</span><span class="p">(</span><span class="n">wfn</span><span class="p">:</span> <span class="s2">&quot;psi4.core.Wavefunction&quot;</span><span class="p">,</span> <span class="n">filename</span><span class="p">:</span> <span class="nb">str</span> <span class="o">=</span> <span class="s1">&#39;fake_file11.dat&#39;</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
 <span class="w">    </span><span class="sa">r</span><span class="sd">&quot;&quot;&quot;Function to print a file *filename* of the old file11 format</span>
 <span class="sd">    from molecule and gradient information in *wfn*.</span>
 
@@ -200,7 +200,7 @@ <h1>Source code for psi4.driver.aliases</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="sherrill_gold_standard">
 <a class="viewcode-back" href="../../../cbs.html#psi4.driver.aliases.sherrill_gold_standard">[docs]</a>
-<span class="k">def</span> <span class="nf">sherrill_gold_standard</span><span class="p">(</span><span class="o">**</span><span class="n">kwargs</span><span class="p">)</span> <span class="o">-&gt;</span> <span class="n">CBSMetadata</span><span class="p">:</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">sherrill_gold_standard</span><span class="p">(</span><span class="o">**</span><span class="n">kwargs</span><span class="p">)</span> <span class="o">-&gt;</span> <span class="n">CBSMetadata</span><span class="p">:</span>
 <span class="w">    </span><span class="sa">r</span><span class="sd">&quot;&quot;&quot;Function to call the quantum chemical method known as &#39;Gold Standard&#39;</span>
 <span class="sd">    in the Sherrill group. Uses the composite wrapper to evaluate</span>
 <span class="sd">    the following expression. Two-point extrapolation of the correlation energy</span>
@@ -246,7 +246,7 @@ <h1>Source code for psi4.driver.aliases</h1><div class="highlight"><pre>
 
 <div class="viewcode-block" id="allen_focal_point">
 <a class="viewcode-back" href="../../../cbs.html#psi4.driver.aliases.allen_focal_point">[docs]</a>
-<span class="k">def</span> <span class="nf">allen_focal_point</span><span class="p">(</span><span class="o">**</span><span class="n">kwargs</span><span class="p">)</span> <span class="o">-&gt;</span> <span class="n">CBSMetadata</span><span class="p">:</span>
+<span class="k">def</span><span class="w"> </span><span class="nf">allen_focal_point</span><span class="p">(</span><span class="o">**</span><span class="n">kwargs</span><span class="p">)</span> <span class="o">-&gt;</span> <span class="n">CBSMetadata</span><span class="p">:</span>
 <span class="w">    </span><span class="sa">r</span><span class="sd">&quot;&quot;&quot;Function to call Wes Allen-style Focal</span>
 <span class="sd">    Point Analysis. JCP 127 014306, https://doi.org/10.1063/1.2747241 .</span>
 <span class="sd">    Uses the composite wrapper to evaluate the following</span>
@@ -265,7 +265,7 @@ <h1>Source code for psi4.driver.aliases</h1><div class="highlight"><pre>
 <span class="sd">    &gt;&gt;&gt; energy(&#39;allen_focal_point&#39;, scf_basis=&#39;cc-pV[TQ5]Z&#39;)</span>
 
 <span class="sd">    &quot;&quot;&quot;</span>
-    <span class="kn">import</span> <span class="nn">psi4</span>
+    <span class="kn">import</span><span class="w"> </span><span class="nn">psi4</span>
     <span class="k">if</span> <span class="ow">not</span> <span class="n">psi4</span><span class="o">.</span><span class="n">addons</span><span class="p">(</span><span class="s2">&quot;mrcc&quot;</span><span class="p">):</span>
         <span class="k">raise</span> <span class="ne">ImportError</span><span class="p">(</span><span class="s2">&quot;Install MRCC (executable &#39;dmrcc&#39;) to use the allen_focal_point function.&quot;</span><span class="p">)</span>
 
@@ -385,7 +385,7 @@ <h3>Navigation</h3>
     <li><a href="http://forum.psicode.org"><i class="fa fa-comments-o fa-lg"></i></a></li>
     <li><a href="http://github.com/psi4/psi4/edit/master/doc/sphinxman/source/_modules/psi4/driver/aliases.rst"><i class="fa fa-pencil fa-lg"></i></a></li>
     <li style="color: #1a4162">&nbsp;&middot;&nbsp;</li>
-    <li><a href="http://github.com/psi4/psi4/tree/a25e716">1.10a1.dev62</a></li>
+    <li><a href="http://github.com/psi4/psi4/tree/9fa19f9">1.10a1.dev63</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>
@@ -398,8 +398,8 @@ <h3>Navigation</h3>
     </div>
 
     <div class="footer" role="contentinfo">
-    &#169; Copyright 2007-2024, The Psi4 Project.
-      Last updated on Friday, 13 December 2024 01:31AM.
+    &#169; Copyright 2007-2025, The Psi4 Project.
+      Last updated on Wednesday, 08 January 2025 01:53PM.
       Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.4.7.
     </div>
     <!-- cloud_sptheme 1.4 -->