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TheoChem-VU · Oct 31, 2023 · b347cf6 · b347cf6
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diff --git a/docs/_build/doctrees/TCutility.doctree b/docs/_build/doctrees/TCutility.doctree
diff --git a/docs/_build/doctrees/environment.pickle b/docs/_build/doctrees/environment.pickle
diff --git a/docs/_build/html/TCutility.constants.html b/docs/_build/html/TCutility.constants.html
@@ -18,22 +18,22 @@
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-<link href="_static/styles/pydata-sphinx-theme.css?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="_static/styles/theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="_static/styles/bootstrap.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="_static/styles/pydata-sphinx-theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
 
 
-  <link href="_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
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     <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=a746c00c" />
 
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=c5ced968eda925caa686" />
-<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=c5ced968eda925caa686" />
-  <script src="_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=c5ced968eda925caa686"></script>
+  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6" />
+<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6" />
+  <script src="_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=365ca57ee442770a23c6"></script>
 
     <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=c5b00ed7"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
@@ -298,8 +298,8 @@ <h1>TCutility.constants package<a class="headerlink" href="#tcutility-constants-
   </div>
 
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="_static/scripts/bootstrap.js?digest=c5ced968eda925caa686"></script>
-<script src="_static/scripts/pydata-sphinx-theme.js?digest=c5ced968eda925caa686"></script>
+  <script src="_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6"></script>
+<script src="_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6"></script>
 
   <footer class="bd-footer">
 <div class="bd-footer__inner bd-page-width">
@@ -329,7 +329,7 @@ <h1>TCutility.constants package<a class="headerlink" href="#tcutility-constants-
     <div class="footer-items__end">
 
         <div class="footer-item"><p class="theme-version">
-  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.2.
+  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.3.
 </p></div>
 
     </div>

diff --git a/docs/_build/html/TCutility.html b/docs/_build/html/TCutility.html
@@ -18,22 +18,22 @@
   </script>
 
   <!-- Loaded before other Sphinx assets -->
-  <link href="_static/styles/theme.css?digest=c5ced968eda925caa686" rel="stylesheet" />
-<link href="_static/styles/bootstrap.css?digest=c5ced968eda925caa686" rel="stylesheet" />
-<link href="_static/styles/pydata-sphinx-theme.css?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="_static/styles/theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="_static/styles/bootstrap.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="_static/styles/pydata-sphinx-theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
 
 
-  <link href="_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
   <link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2" />
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 <link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=a746c00c" />
 
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=c5ced968eda925caa686" />
-<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=c5ced968eda925caa686" />
-  <script src="_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=c5ced968eda925caa686"></script>
+  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6" />
+<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6" />
+  <script src="_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=365ca57ee442770a23c6"></script>
 
     <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=c5b00ed7"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
@@ -315,6 +315,11 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Permalink to thi
 </section>
 <section id="module-TCutility">
 <span id="module-contents"></span><h2>Module contents<a class="headerlink" href="#module-TCutility" title="Permalink to this heading">#</a></h2>
+<dl class="py function">
+<dt class="sig sig-object py" id="TCutility.ensure_2d">
+<span class="sig-name descname"><span class="pre">ensure_2d</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">x</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">transposed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="_modules/TCutility.html#ensure_2d"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#TCutility.ensure_2d" title="Permalink to this definition">#</a></dt>
+<dd></dd></dl>
+
 <dl class="py function">
 <dt class="sig sig-object py" id="TCutility.ensure_list">
 <span class="sig-name descname"><span class="pre">ensure_list</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">x</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#TCutility.ensure_list" title="Permalink to this definition">#</a></dt>
@@ -355,6 +360,7 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Permalink to thi
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-TCutility">Module contents</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#TCutility.ensure_2d"><code class="docutils literal notranslate"><span class="pre">ensure_2d()</span></code></a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#TCutility.ensure_list"><code class="docutils literal notranslate"><span class="pre">ensure_list()</span></code></a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#TCutility.squeeze_list"><code class="docutils literal notranslate"><span class="pre">squeeze_list()</span></code></a></li>
 </ul>
@@ -383,8 +389,8 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Permalink to thi
   </div>
 
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="_static/scripts/bootstrap.js?digest=c5ced968eda925caa686"></script>
-<script src="_static/scripts/pydata-sphinx-theme.js?digest=c5ced968eda925caa686"></script>
+  <script src="_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6"></script>
+<script src="_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6"></script>
 
   <footer class="bd-footer">
 <div class="bd-footer__inner bd-page-width">
@@ -414,7 +420,7 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Permalink to thi
     <div class="footer-items__end">
 
         <div class="footer-item"><p class="theme-version">
-  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.2.
+  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.3.
 </p></div>
 
     </div>

diff --git a/docs/_build/html/TCutility.results.html b/docs/_build/html/TCutility.results.html
@@ -18,22 +18,22 @@
   </script>
 
   <!-- Loaded before other Sphinx assets -->
-  <link href="_static/styles/theme.css?digest=c5ced968eda925caa686" rel="stylesheet" />
-<link href="_static/styles/bootstrap.css?digest=c5ced968eda925caa686" rel="stylesheet" />
-<link href="_static/styles/pydata-sphinx-theme.css?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="_static/styles/theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="_static/styles/bootstrap.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="_static/styles/pydata-sphinx-theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
 
 
-  <link href="_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
   <link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2" />
 <link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.woff2" />
 <link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=a746c00c" />
 
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=c5ced968eda925caa686" />
-<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=c5ced968eda925caa686" />
-  <script src="_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=c5ced968eda925caa686"></script>
+  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6" />
+<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6" />
+  <script src="_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=365ca57ee442770a23c6"></script>
 
     <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=c5b00ed7"></script>
     <script src="_static/doctools.js?v=888ff710"></script>
@@ -813,8 +813,8 @@ <h1>TCutility.results package<a class="headerlink" href="#tcutility-results-pack
   </div>
 
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="_static/scripts/bootstrap.js?digest=c5ced968eda925caa686"></script>
-<script src="_static/scripts/pydata-sphinx-theme.js?digest=c5ced968eda925caa686"></script>
+  <script src="_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6"></script>
+<script src="_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6"></script>
 
   <footer class="bd-footer">
 <div class="bd-footer__inner bd-page-width">
@@ -844,7 +844,7 @@ <h1>TCutility.results package<a class="headerlink" href="#tcutility-results-pack
     <div class="footer-items__end">
 
         <div class="footer-item"><p class="theme-version">
-  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.2.
+  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.3.
 </p></div>
 
     </div>

diff --git a/docs/_build/html/_modules/index.html b/docs/_build/html/_modules/index.html
@@ -17,22 +17,22 @@
   </script>
 
   <!-- Loaded before other Sphinx assets -->
-  <link href="../_static/styles/theme.css?digest=c5ced968eda925caa686" rel="stylesheet" />
-<link href="../_static/styles/bootstrap.css?digest=c5ced968eda925caa686" rel="stylesheet" />
-<link href="../_static/styles/pydata-sphinx-theme.css?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="../_static/styles/theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="../_static/styles/bootstrap.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="../_static/styles/pydata-sphinx-theme.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
 
 
-  <link href="../_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="../_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=365ca57ee442770a23c6" rel="stylesheet" />
   <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2" />
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     <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=a746c00c" />
 
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=c5ced968eda925caa686" />
-<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=c5ced968eda925caa686" />
-  <script src="../_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=c5ced968eda925caa686"></script>
+  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6" />
+<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6" />
+  <script src="../_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=365ca57ee442770a23c6"></script>
 
     <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c5b00ed7"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
@@ -238,13 +238,14 @@
                 <article class="bd-article" role="main">
 
   <h1>All modules for which code is available</h1>
+<ul><li><a href="TCutility.html">TCutility</a></li>
 <ul><li><a href="TCutility/results.html">TCutility.results</a></li>
 <ul><li><a href="TCutility/results/adf.html">TCutility.results.adf</a></li>
 <li><a href="TCutility/results/ams.html">TCutility.results.ams</a></li>
 <li><a href="TCutility/results/cache.html">TCutility.results.cache</a></li>
 <li><a href="TCutility/results/dftb.html">TCutility.results.dftb</a></li>
 <li><a href="TCutility/results/result.html">TCutility.results.result</a></li>
-</ul></ul>
+</ul></ul></ul>
 
                 </article>
 
@@ -273,8 +274,8 @@ <h1>All modules for which code is available</h1>
   </div>
 
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=c5ced968eda925caa686"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=c5ced968eda925caa686"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=365ca57ee442770a23c6"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=365ca57ee442770a23c6"></script>
 
   <footer class="bd-footer">
 <div class="bd-footer__inner bd-page-width">
@@ -304,7 +305,7 @@ <h1>All modules for which code is available</h1>
     <div class="footer-items__end">
 
         <div class="footer-item"><p class="theme-version">
-  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.2.
+  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.3.
 </p></div>
 
     </div>

diff --git a/docs/_build/html/_static/styles/pydata-sphinx-theme.css b/docs/_build/html/_static/styles/pydata-sphinx-theme.css
diff --git a/docs/_build/html/_static/styles/pydata-sphinx-theme.css.map b/docs/_build/html/_static/styles/pydata-sphinx-theme.css.map
diff --git a/docs/_build/html/_static/webpack-macros.html b/docs/_build/html/_static/webpack-macros.html
@@ -4,28 +4,28 @@
 -->
 {# Load FontAwesome icons #}
 {% macro head_pre_icons() %}
-  <link href="{{ pathto('_static/vendor/fontawesome/6.1.2/css/all.min.css', 1) }}?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="{{ pathto('_static/vendor/fontawesome/6.1.2/css/all.min.css', 1) }}?digest=365ca57ee442770a23c6" rel="stylesheet" />
   <link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2', 1) }}" />
 <link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.woff2', 1) }}" />
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 {% macro head_pre_assets() %}
   <!-- Loaded before other Sphinx assets -->
-  <link href="{{ pathto('_static/styles/theme.css', 1) }}?digest=c5ced968eda925caa686" rel="stylesheet" />
-<link href="{{ pathto('_static/styles/bootstrap.css', 1) }}?digest=c5ced968eda925caa686" rel="stylesheet" />
-<link href="{{ pathto('_static/styles/pydata-sphinx-theme.css', 1) }}?digest=c5ced968eda925caa686" rel="stylesheet" />
+  <link href="{{ pathto('_static/styles/theme.css', 1) }}?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="{{ pathto('_static/styles/bootstrap.css', 1) }}?digest=365ca57ee442770a23c6" rel="stylesheet" />
+<link href="{{ pathto('_static/styles/pydata-sphinx-theme.css', 1) }}?digest=365ca57ee442770a23c6" rel="stylesheet" />
 {% endmacro %}
 
 {% macro head_js_preload() %}
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=c5ced968eda925caa686" />
-<link rel="preload" as="script" href="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=c5ced968eda925caa686" />
-  <script src="{{ pathto('_static/vendor/fontawesome/6.1.2/js/all.min.js', 1) }}?digest=c5ced968eda925caa686"></script>
+  <link rel="preload" as="script" href="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=365ca57ee442770a23c6" />
+<link rel="preload" as="script" href="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=365ca57ee442770a23c6" />
+  <script src="{{ pathto('_static/vendor/fontawesome/6.1.2/js/all.min.js', 1) }}?digest=365ca57ee442770a23c6"></script>
 {% endmacro %}
 
 {% macro body_post() %}
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-<script src="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=c5ced968eda925caa686"></script>
+  <script src="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=365ca57ee442770a23c6"></script>
+<script src="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=365ca57ee442770a23c6"></script>
 {% endmacro %}