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<h1>API documentation<a class="headerlink" href="#api-documentation" title="Permalink to this headline">ΒΆ</a></h1>
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<li class="toctree-l1"><a class="reference internal" href="inputs.html">effmass.inputs</a></li>
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<span class="target" id="module-effmass.inputs"></span><p>A module for storing electronic structure data and user settings. Currently supported codes are VASP and FHI-Aims (with limited functionality).</p>
<p>The module contains a <a class="reference internal" href="inputs.html#effmass.inputs.Data" title="effmass.inputs.Data"><code class="xref py py-class docutils literal notranslate"><span class="pre">Data</span></code></a> class which parses OUTCAR and PROCAR files using the <a class="reference external" href="https://github.com/bjmorgan/vasppy">vasppy</a> package.
A function for parsing DOSCAR files is also provided.</p>
<p>The module contains a <a class="reference internal" href="inputs.html#effmass.inputs.DataAims" title="effmass.inputs.DataAims"><code class="xref py py-class docutils literal notranslate"><span class="pre">DataAims</span></code></a> class which parses and stores the <cite>geometry.in</cite>/<cite>calculation.out</cite> files generated for/from a FHI-AIMS calculation.</p>
<p>A <a class="reference internal" href="inputs.html#effmass.inputs.Settings" title="effmass.inputs.Settings"><code class="xref py py-class docutils literal notranslate"><span class="pre">Settings</span></code></a> class stores analysis parameters set by the user.</p>
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<li class="toctree-l1"><a class="reference internal" href="extrema.html">effmass.extrema</a></li>
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<span class="target" id="module-effmass.extrema"></span><p>A module for finding the band structure extrema and instantiating
a <code class="xref py py-class docutils literal notranslate"><span class="pre">Segment</span></code> object for each extrema point.</p>
<p>The extrema are found within an energy range given by the <code class="xref py py-class docutils literal notranslate"><span class="pre">Settings</span></code> class.
Each <cite>Segment</cite> object contains data for kpoints within an energy range given by the <code class="xref py py-class docutils literal notranslate"><span class="pre">Settings</span></code> class.</p>
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<span class="target" id="module-effmass.dos"></span><p>A module for analysing DOSCAR data.</p>
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<li class="toctree-l1"><a class="reference internal" href="analysis.html">effmass.analysis</a></li>
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<span class="target" id="module-effmass.analysis"></span><p>A module for analysing the data contained in a <a class="reference internal" href="analysis.html#effmass.analysis.Segment" title="effmass.analysis.Segment"><code class="xref py py-class docutils literal notranslate"><span class="pre">Segment</span></code></a> object.</p>
<p>Contains the <a class="reference internal" href="analysis.html#effmass.analysis.Segment" title="effmass.analysis.Segment"><code class="xref py py-class docutils literal notranslate"><span class="pre">Segment</span></code></a> class and methods for calculating various definitions of the effective mass.</p>
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