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pymatgen.io.atat.html
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<!DOCTYPE html>
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<title>pymatgen.io.atat module — pymatgen 2019.5.1 documentation</title>
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<div class="section" id="module-pymatgen.io.atat">
<span id="pymatgen-io-atat-module"></span><h1>pymatgen.io.atat module<a class="headerlink" href="#module-pymatgen.io.atat" title="Permalink to this headline">¶</a></h1>
<dl class="class">
<dt id="pymatgen.io.atat.Mcsqs">
<em class="property">class </em><code class="descname">Mcsqs</code><span class="sig-paren">(</span><em>structure</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/atat.html#Mcsqs"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.atat.Mcsqs" title="Permalink to this definition">¶</a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>Handle input/output for the crystal definition format
used by mcsqs and other ATAT codes.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><p><strong>structure</strong> – input Structure</p>
</dd>
</dl>
<dl class="staticmethod">
<dt id="pymatgen.io.atat.Mcsqs.structure_from_string">
<em class="property">static </em><code class="descname">structure_from_string</code><span class="sig-paren">(</span><em>data</em><span class="sig-paren">)</span><a class="reference internal" href="_modules/pymatgen/io/atat.html#Mcsqs.structure_from_string"><span class="viewcode-link">[source]</span></a><a class="headerlink" href="#pymatgen.io.atat.Mcsqs.structure_from_string" title="Permalink to this definition">¶</a></dt>
<dd><p>Parses a rndstr.in or lat.in file into pymatgen’s
Structure format.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><p><strong>data</strong> – contents of a rndstr.in or lat.in file</p>
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<dt class="field-even">Returns</dt>
<dd class="field-even"><p>Structure object</p>
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<dt id="pymatgen.io.atat.Mcsqs.to_string">
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<dd><p>Returns a structure in mcsqs rndstr.in format.
:return (str):</p>
</dd></dl>
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