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‎docs/_modules/index.html‎

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<head>
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<meta name="viewport" content="width=device-width, initial-scale=1.0" />
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<title>Overview: module code &#8212; pymatgen-diffusion 2021.4.29 documentation</title>
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<script id="documentation_options" data-url_root="../" src="../_static/documentation_options.js"></script>
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<title>Overview: module code &#8212; pymatgen-diffusion 2022.1.15 documentation</title>
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<link rel="stylesheet" type="text/css" href="../_static/pygments.css" />
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<li class="right" >
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<a href="../py-modindex.html" title="Python Module Index"
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>modules</a> |</li>
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<li class="nav-item nav-item-0"><a href="../index.html">pymatgen-diffusion 2021.4.29 documentation</a> &#187;</li>
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<li class="nav-item nav-item-0"><a href="../index.html">pymatgen-diffusion 2022.1.15 documentation</a> &#187;</li>
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<li class="nav-item nav-item-this"><a href="">Overview: module code</a></li>
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<h3 id="searchlabel">Quick search</h3>
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‎docs/_modules/pymatgen/analysis/diffusion/aimd/clustering.html‎

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<title>pymatgen.analysis.diffusion.aimd.clustering &#8212; pymatgen-diffusion 2021.4.29 documentation</title>
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<link rel="stylesheet" href="../../../../../_static/pygments.css" type="text/css" />
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<link rel="stylesheet" href="../../../../../_static/flasky.css" type="text/css" />
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<script id="documentation_options" data-url_root="../../../../../" src="../../../../../_static/documentation_options.js"></script>
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<title>pymatgen.analysis.diffusion.aimd.clustering &#8212; pymatgen-diffusion 2022.1.15 documentation</title>
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<link rel="stylesheet" type="text/css" href="../../../../../_static/pygments.css" />
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<script data-url_root="../../../../../" id="documentation_options" src="../../../../../_static/documentation_options.js"></script>
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<li class="right" >
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<a href="../../../../../py-modindex.html" title="Python Module Index"
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<li class="nav-item nav-item-0"><a href="../../../../../index.html">pymatgen-diffusion 2021.4.29 documentation</a> &#187;</li>
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<li class="nav-item nav-item-0"><a href="../../../../../index.html">pymatgen-diffusion 2022.1.15 documentation</a> &#187;</li>
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<li class="nav-item nav-item-1"><a href="../../../../index.html" accesskey="U">Module code</a> &#187;</li>
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<li class="nav-item nav-item-this"><a href="">pymatgen.analysis.diffusion.aimd.clustering</a></li>
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<div class="body" role="main">
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<h1>Source code for pymatgen.analysis.diffusion.aimd.clustering</h1><div class="highlight"><pre>
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<span></span><span class="c1"># coding: utf-8</span>
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<span class="c1"># Copyright (c) Materials Virtual Lab.</span>
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<span></span><span class="c1"># Copyright (c) Materials Virtual Lab.</span>
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<span class="c1"># Distributed under the terms of the BSD License.</span>
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<span class="sd"> iterations: Number of iterations thus far.</span>
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<span class="sd"> &quot;&quot;&quot;</span>
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<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>
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<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>
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<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>
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<span class="k">return</span> <span class="kc">True</span>
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<span class="sd"> iterations: Number of iterations thus far.</span>
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<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>
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<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>
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