Merge pull request #279 from OMalenfantThuot/docs

Docs
OMalenfantThuot · Dec 10, 2021 · ccc3949 · ccc3949
2 parents 5e57cbf + df86638
commit ccc3949
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diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml
@@ -21,7 +21,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [3.7]
+        python-version: [3.8, 3.9]
 
     steps:
     - uses: actions/checkout@v2

diff --git a/docs/.buildinfo b/docs/.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: 32a1edb12b6ec666742c74190f1d60ac
+config: dad214e7207eecf6d105a355df37c5af
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/docs/_modules/index.html b/docs/_modules/index.html
@@ -1,87 +1,40 @@
-
-
 <!DOCTYPE html>
 <html class="writer-html5" lang="en" >
 <head>
-  <meta charset="utf-8">
-
-  <meta name="viewport" content="width=device-width, initial-scale=1.0">
-
+  <meta charset="utf-8" />
+  <meta name="viewport" content="width=device-width, initial-scale=1.0" />
   <title>Overview: module code &mdash; ML_Calc_Driver 1.1.0 documentation</title>
-
-
-
-  <link rel="stylesheet" href="../_static/css/theme.css" type="text/css" />
-  <link rel="stylesheet" href="../_static/pygments.css" type="text/css" />
-
-
-
-
-
-
-
+      <link rel="stylesheet" href="../_static/pygments.css" type="text/css" />
+      <link rel="stylesheet" href="../_static/css/theme.css" type="text/css" />
   <!--[if lt IE 9]>
     <script src="../_static/js/html5shiv.min.js"></script>
   <![endif]-->
 
-
-      <script type="text/javascript" id="documentation_options" data-url_root="../" src="../_static/documentation_options.js"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js"></script>
         <script src="../_static/jquery.js"></script>
         <script src="../_static/underscore.js"></script>
         <script src="../_static/doctools.js"></script>
-        <script src="../_static/language_data.js"></script>
-        <script async="async" src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/latest.js?config=TeX-AMS-MML_HTMLorMML"></script>
-
-    <script type="text/javascript" src="../_static/js/theme.js"></script>
-
-
+    <script src="../_static/js/theme.js"></script>
     <link rel="index" title="Index" href="../genindex.html" />
     <link rel="search" title="Search" href="../search.html" /> 
 </head>
 
-<body class="wy-body-for-nav">
-
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+<body class="wy-body-for-nav"> 
   <div class="wy-grid-for-nav">
-
     <nav data-toggle="wy-nav-shift" class="wy-nav-side">
       <div class="wy-side-scroll">
         <div class="wy-side-nav-search" >
-
-
-
-            <a href="../index.html" class="icon icon-home" alt="Documentation Home"> ML_Calc_Driver
-
-
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+            <a href="../index.html" class="icon icon-home"> ML_Calc_Driver
           </a>
-
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 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
     <input type="text" name="q" placeholder="Search docs" />
     <input type="hidden" name="check_keywords" value="yes" />
     <input type="hidden" name="area" value="default" />
   </form>
 </div>
-
-
-        </div>
-
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-        <div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
-
-
-
-
-
-
-              <p class="caption"><span class="caption-text">Code Documentation:</span></p>
+        </div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu">
+              <p class="caption" role="heading"><span class="caption-text">Code Documentation:</span></p>
 <ul>
 <li class="toctree-l1"><a class="reference internal" href="../base.html">Base Module</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../calculators.html">Calculators Module</a></li>
@@ -90,69 +43,35 @@
 <li class="toctree-l1"><a class="reference internal" href="../globals.html">Globals</a></li>
 </ul>
 
-
-
         </div>
-
       </div>
     </nav>
 
-    <section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">
-
-
-      <nav class="wy-nav-top" aria-label="top navigation">
-
+    <section data-toggle="wy-nav-shift" class="wy-nav-content-wrap"><nav class="wy-nav-top" aria-label="Mobile navigation menu" >
           <i data-toggle="wy-nav-top" class="fa fa-bars"></i>
           <a href="../index.html">ML_Calc_Driver</a>
-
       </nav>
 
-
       <div class="wy-nav-content">
-
         <div class="rst-content">
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-<div role="navigation" aria-label="breadcrumbs navigation">
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+          <div role="navigation" aria-label="Page navigation">
   <ul class="wy-breadcrumbs">
-
       <li><a href="../index.html" class="icon icon-home"></a> &raquo;</li>
-
       <li>Overview: module code</li>
-
-
       <li class="wy-breadcrumbs-aside">
-
       </li>
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   </ul>
-
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   <hr/>
 </div>
           <div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
            <div itemprop="articleBody">
-
+             
   <h1>All modules for which code is available</h1>
 <ul><li><a href="mlcalcdriver/base/job.html">mlcalcdriver.base.job</a></li>
 <li><a href="mlcalcdriver/base/posinp.html">mlcalcdriver.base.posinp</a></li>
+<li><a href="mlcalcdriver/calculators/ase_calculators/asespkcalculator.html">mlcalcdriver.calculators.ase_calculators.asespkcalculator</a></li>
 <li><a href="mlcalcdriver/calculators/calculator.html">mlcalcdriver.calculators.calculator</a></li>
+<li><a href="mlcalcdriver/calculators/ensemble.html">mlcalcdriver.calculators.ensemble</a></li>
 <li><a href="mlcalcdriver/calculators/schnetpack.html">mlcalcdriver.calculators.schnetpack</a></li>
 <li><a href="mlcalcdriver/interfaces/ase_interface.html">mlcalcdriver.interfaces.ase_interface</a></li>
 <li><a href="mlcalcdriver/interfaces/schnetpack_interface.html">mlcalcdriver.interfaces.schnetpack_interface</a></li>
@@ -161,49 +80,30 @@ <h1>All modules for which code is available</h1>
 </ul>
 
            </div>
-
           </div>
           <footer>
-
 
   <hr/>
 
   <div role="contentinfo">
-    <p>
-
-        &copy; Copyright 2020, Olivier Malenfant-Thuot
-
-    </p>
+    <p>&#169; Copyright 2020, Olivier Malenfant-Thuot.</p>
   </div>
-
-
-
-    Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a
-
-    <a href="https://github.com/rtfd/sphinx_rtd_theme">theme</a>
-
-    provided by <a href="https://readthedocs.org">Read the Docs</a>. 
 
-</footer>
+  Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
+    <a href="https://github.com/readthedocs/sphinx_rtd_theme">theme</a>
+    provided by <a href="https://readthedocs.org">Read the Docs</a>.
+
 
+</footer>
         </div>
       </div>
-
     </section>
-
   </div>
-
-
-  <script type="text/javascript">
+  <script>
       jQuery(function () {
           SphinxRtdTheme.Navigation.enable(true);
       });
-  </script>
-
-
-
-
-
+  </script> 
 
 </body>
 </html>