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@@ -1,15 +1,15 @@
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-    <title>Overview: module code &#8212; pymatgen-diffusion 2023.8.15 documentation</title>
+    <title>Overview: module code &#8212; pymatgen-diffusion 2024.6.10 documentation</title>
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@@ -34,7 +34,7 @@ <h3>Navigation</h3>
         <li class="right" >
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="../index.html">pymatgen-diffusion 2023.8.15 documentation</a> &#187;</li>
+        <li class="nav-item nav-item-0"><a href="../index.html">pymatgen-diffusion 2024.6.10 documentation</a> &#187;</li>
         <li class="nav-item nav-item-this"><a href="">Overview: module code</a></li> 
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@@ -68,7 +68,6 @@ <h1>All modules for which code is available</h1>
 <li><a href="pymatgen/analysis/diffusion/utils/parse_entries.html">pymatgen.analysis.diffusion.utils.parse_entries</a></li>
 <li><a href="pymatgen/analysis/diffusion/utils/supercells.html">pymatgen.analysis.diffusion.utils.supercells</a></li>
 <li><a href="pymatgen/analysis/diffusion/utils/tests/test_edge_data_from_sc.html">pymatgen.analysis.diffusion.utils.tests.test_edge_data_from_sc</a></li>
-<li><a href="pymatgen/analysis/diffusion/utils/tests/test_maggma.html">pymatgen.analysis.diffusion.utils.tests.test_maggma</a></li>
 <li><a href="pymatgen/analysis/diffusion/utils/tests/test_parse_entries.html">pymatgen.analysis.diffusion.utils.tests.test_parse_entries</a></li>
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@@ -82,15 +81,15 @@ <h1>All modules for which code is available</h1>
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diff --git a/docs/_modules/pymatgen/analysis/diffusion/aimd/clustering.html b/docs/_modules/pymatgen/analysis/diffusion/aimd/clustering.html
diff --git a/docs/_modules/pymatgen/analysis/diffusion/aimd/pathway.html b/docs/_modules/pymatgen/analysis/diffusion/aimd/pathway.html
diff --git a/docs/_modules/pymatgen/analysis/diffusion/aimd/rdf.html b/docs/_modules/pymatgen/analysis/diffusion/aimd/rdf.html
diff --git a/docs/_modules/pymatgen/analysis/diffusion/aimd/tests/test_clustering.html b/docs/_modules/pymatgen/analysis/diffusion/aimd/tests/test_clustering.html
@@ -1,15 +1,15 @@
 <!DOCTYPE html>
 
-<html lang="en">
+<html lang="en" data-content_root="../../../../../../">
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>pymatgen.analysis.diffusion.aimd.tests.test_clustering &#8212; pymatgen-diffusion 2023.8.15 documentation</title>
+    <title>pymatgen.analysis.diffusion.aimd.tests.test_clustering &#8212; pymatgen-diffusion 2024.6.10 documentation</title>
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+    <script src="../../../../../../_static/documentation_options.js?v=608d49bb"></script>
+    <script src="../../../../../../_static/doctools.js?v=9a2dae69"></script>
+    <script src="../../../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <link rel="index" title="Index" href="../../../../../../genindex.html" />
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@@ -34,7 +34,7 @@ <h3>Navigation</h3>
         <li class="right" >
           <a href="../../../../../../py-modindex.html" title="Python Module Index"
              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="../../../../../../index.html">pymatgen-diffusion 2023.8.15 documentation</a> &#187;</li>
+        <li class="nav-item nav-item-0"><a href="../../../../../../index.html">pymatgen-diffusion 2024.6.10 documentation</a> &#187;</li>
           <li class="nav-item nav-item-1"><a href="../../../../../index.html" accesskey="U">Module code</a> &#187;</li>
         <li class="nav-item nav-item-this"><a href="">pymatgen.analysis.diffusion.aimd.tests.test_clustering</a></li> 
       </ul>
@@ -61,8 +61,12 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.tests.test_clustering</h1><
 <span class="kn">from</span> <span class="nn">pymatgen.util.coord</span> <span class="kn">import</span> <span class="n">pbc_diff</span>
 
 
-<div class="viewcode-block" id="KmeansTest"><a class="viewcode-back" href="../../../../../../pymatgen.analysis.diffusion.aimd.tests.test_clustering.html#pymatgen.analysis.diffusion.aimd.tests.test_clustering.KmeansTest">[docs]</a><span class="k">class</span> <span class="nc">KmeansTest</span><span class="p">(</span><span class="n">unittest</span><span class="o">.</span><span class="n">TestCase</span><span class="p">):</span>
-<div class="viewcode-block" id="KmeansTest.test_cluster"><a class="viewcode-back" href="../../../../../../pymatgen.analysis.diffusion.aimd.tests.test_clustering.html#pymatgen.analysis.diffusion.aimd.tests.test_clustering.KmeansTest.test_cluster">[docs]</a>    <span class="k">def</span> <span class="nf">test_cluster</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
+<div class="viewcode-block" id="KmeansTest">
+<a class="viewcode-back" href="../../../../../../pymatgen.analysis.diffusion.aimd.tests.test_clustering.html#pymatgen.analysis.diffusion.aimd.tests.test_clustering.KmeansTest">[docs]</a>
+<span class="k">class</span> <span class="nc">KmeansTest</span><span class="p">(</span><span class="n">unittest</span><span class="o">.</span><span class="n">TestCase</span><span class="p">):</span>
+<div class="viewcode-block" id="KmeansTest.test_cluster">
+<a class="viewcode-back" href="../../../../../../pymatgen.analysis.diffusion.aimd.tests.test_clustering.html#pymatgen.analysis.diffusion.aimd.tests.test_clustering.KmeansTest.test_cluster">[docs]</a>
+    <span class="k">def</span> <span class="nf">test_cluster</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
         <span class="n">data</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">random</span><span class="o">.</span><span class="n">uniform</span><span class="p">(</span><span class="n">size</span><span class="o">=</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span> <span class="mi">5</span><span class="p">))</span>
         <span class="n">data</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">data</span><span class="p">)</span>
         <span class="n">d2</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">random</span><span class="o">.</span><span class="n">uniform</span><span class="p">(</span><span class="n">size</span><span class="o">=</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span> <span class="mi">5</span><span class="p">))</span> <span class="o">+</span> <span class="p">([</span><span class="mi">5</span><span class="p">]</span> <span class="o">*</span> <span class="mi">5</span><span class="p">)</span>
@@ -82,11 +86,17 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.tests.test_clustering</h1><
             <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">c1</span><span class="p">,</span> <span class="n">a</span><span class="p">):</span>
                 <span class="n">same</span> <span class="o">=</span> <span class="kc">True</span>
                 <span class="k">break</span>
-        <span class="k">assert</span> <span class="n">same</span></div></div>
+        <span class="k">assert</span> <span class="n">same</span></div>
+</div>
+
 
 
-<div class="viewcode-block" id="KmeansPBCTest"><a class="viewcode-back" href="../../../../../../pymatgen.analysis.diffusion.aimd.tests.test_clustering.html#pymatgen.analysis.diffusion.aimd.tests.test_clustering.KmeansPBCTest">[docs]</a><span class="k">class</span> <span class="nc">KmeansPBCTest</span><span class="p">(</span><span class="n">unittest</span><span class="o">.</span><span class="n">TestCase</span><span class="p">):</span>
-<div class="viewcode-block" id="KmeansPBCTest.test_cluster"><a class="viewcode-back" href="../../../../../../pymatgen.analysis.diffusion.aimd.tests.test_clustering.html#pymatgen.analysis.diffusion.aimd.tests.test_clustering.KmeansPBCTest.test_cluster">[docs]</a>    <span class="k">def</span> <span class="nf">test_cluster</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
+<div class="viewcode-block" id="KmeansPBCTest">
+<a class="viewcode-back" href="../../../../../../pymatgen.analysis.diffusion.aimd.tests.test_clustering.html#pymatgen.analysis.diffusion.aimd.tests.test_clustering.KmeansPBCTest">[docs]</a>
+<span class="k">class</span> <span class="nc">KmeansPBCTest</span><span class="p">(</span><span class="n">unittest</span><span class="o">.</span><span class="n">TestCase</span><span class="p">):</span>
+<div class="viewcode-block" id="KmeansPBCTest.test_cluster">
+<a class="viewcode-back" href="../../../../../../pymatgen.analysis.diffusion.aimd.tests.test_clustering.html#pymatgen.analysis.diffusion.aimd.tests.test_clustering.KmeansPBCTest.test_cluster">[docs]</a>
+    <span class="k">def</span> <span class="nf">test_cluster</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
         <span class="n">lattice</span> <span class="o">=</span> <span class="n">Lattice</span><span class="o">.</span><span class="n">cubic</span><span class="p">(</span><span class="mi">4</span><span class="p">)</span>
 
         <span class="n">pts</span> <span class="o">=</span> <span class="p">[]</span>
@@ -105,11 +115,9 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.tests.test_clustering</h1><
                 <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</span><span class="p">(</span><span class="n">pbc_diff</span><span class="p">(</span><span class="n">c1</span><span class="p">,</span> <span class="n">c2</span><span class="p">),</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">],</span> <span class="n">atol</span><span class="o">=</span><span class="mf">0.1</span><span class="p">):</span>
                     <span class="n">found</span> <span class="o">=</span> <span class="kc">True</span>
                     <span class="k">break</span>
-            <span class="k">assert</span> <span class="n">found</span></div></div>
-
+            <span class="k">assert</span> <span class="n">found</span></div>
+</div>
 
-<span class="k">if</span> <span class="vm">__name__</span> <span class="o">==</span> <span class="s2">&quot;__main__&quot;</span><span class="p">:</span>
-    <span class="n">unittest</span><span class="o">.</span><span class="n">main</span><span class="p">()</span>
 </pre></div>
 
             <div class="clearer"></div>
@@ -124,15 +132,15 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.tests.test_clustering</h1><
   </ul></li>
   </ul></li>
 </ul>
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