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materialsvirtuallab · Jan 15, 2022 · 12fd1a8 · 12fd1a8
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diff --git a/docs/_modules/index.html b/docs/_modules/index.html
@@ -5,10 +5,10 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>Overview: module code &#8212; pymatgen-diffusion 2021.4.29 documentation</title>
-    <link rel="stylesheet" href="../_static/pygments.css" type="text/css" />
-    <link rel="stylesheet" href="../_static/flasky.css" type="text/css" />
-    <script id="documentation_options" data-url_root="../" src="../_static/documentation_options.js"></script>
+    <title>Overview: module code &#8212; pymatgen-diffusion 2022.1.15 documentation</title>
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
+    <link rel="stylesheet" type="text/css" href="../_static/flasky.css" />
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@@ -36,7 +36,7 @@ <h3>Navigation</h3>
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              >modules</a> |</li>
-        <li class="nav-item nav-item-0"><a href="../index.html">pymatgen-diffusion 2021.4.29 documentation</a> &#187;</li>
+        <li class="nav-item nav-item-0"><a href="../index.html">pymatgen-diffusion 2022.1.15 documentation</a> &#187;</li>
         <li class="nav-item nav-item-this"><a href="">Overview: module code</a></li> 
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@@ -85,7 +85,7 @@ <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
@@ -5,10 +5,10 @@
   <head>
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-    <title>pymatgen.analysis.diffusion.aimd.clustering &#8212; pymatgen-diffusion 2021.4.29 documentation</title>
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+    <title>pymatgen.analysis.diffusion.aimd.clustering &#8212; pymatgen-diffusion 2022.1.15 documentation</title>
+    <link rel="stylesheet" type="text/css" href="../../../../../_static/pygments.css" />
+    <link rel="stylesheet" type="text/css" href="../../../../../_static/flasky.css" />
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@@ -36,7 +36,7 @@ <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 2021.4.29 documentation</a> &#187;</li>
+        <li class="nav-item nav-item-0"><a href="../../../../../index.html">pymatgen-diffusion 2022.1.15 documentation</a> &#187;</li>
           <li class="nav-item nav-item-1"><a href="../../../../index.html" accesskey="U">Module code</a> &#187;</li>
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@@ -48,8 +48,7 @@ <h3>Navigation</h3>
           <div class="body" role="main">
 
   <h1>Source code for pymatgen.analysis.diffusion.aimd.clustering</h1><div class="highlight"><pre>
-<span></span><span class="c1"># coding: utf-8</span>
-<span class="c1"># Copyright (c) Materials Virtual Lab.</span>
+<span></span><span class="c1"># Copyright (c) Materials Virtual Lab.</span>
 <span class="c1"># Distributed under the terms of the BSD License.</span>
 
 <span class="sd">&quot;&quot;&quot;</span>
@@ -166,7 +165,7 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.clustering</h1><div class="
 <span class="sd">            iterations: Number of iterations thus far.</span>
 <span class="sd">        &quot;&quot;&quot;</span>
         <span class="k">if</span> <span class="n">iterations</span> <span class="o">&gt;</span> <span class="bp">self</span><span class="o">.</span><span class="n">max_iterations</span><span class="p">:</span>
-            <span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s2">&quot;Max iterations </span><span class="si">%d</span><span class="s2"> reached!&quot;</span> <span class="o">%</span> <span class="bp">self</span><span class="o">.</span><span class="n">max_iterations</span><span class="p">)</span>
+            <span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="sa">f</span><span class="s2">&quot;Max iterations </span><span class="si">{</span><span class="bp">self</span><span class="o">.</span><span class="n">max_iterations</span><span class="si">}</span><span class="s2"> reached!&quot;</span><span class="p">)</span>
             <span class="k">return</span> <span class="kc">True</span>
         <span class="k">if</span> <span class="n">old_centroids</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
             <span class="k">return</span> <span class="kc">False</span>
@@ -242,7 +241,7 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.clustering</h1><div class="
 <span class="sd">            iterations: Number of iterations thus far.</span>
 <span class="sd">        &quot;&quot;&quot;</span>
         <span class="k">if</span> <span class="n">iterations</span> <span class="o">&gt;</span> <span class="bp">self</span><span class="o">.</span><span class="n">max_iterations</span><span class="p">:</span>
-            <span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="s2">&quot;Max iterations </span><span class="si">%d</span><span class="s2"> reached!&quot;</span> <span class="o">%</span> <span class="bp">self</span><span class="o">.</span><span class="n">max_iterations</span><span class="p">)</span>
+            <span class="n">warnings</span><span class="o">.</span><span class="n">warn</span><span class="p">(</span><span class="sa">f</span><span class="s2">&quot;Max iterations </span><span class="si">{</span><span class="bp">self</span><span class="o">.</span><span class="n">max_iterations</span><span class="si">}</span><span class="s2"> reached!&quot;</span><span class="p">)</span>
             <span class="k">return</span> <span class="kc">True</span>
         <span class="k">if</span> <span class="n">old_centroids</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
             <span class="k">return</span> <span class="kc">False</span>
@@ -295,7 +294,7 @@ <h1>Source code for pymatgen.analysis.diffusion.aimd.clustering</h1><div class="
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