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<!DOCTYPE html>
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<title>pymatgen.alchemy package — pymatgen 2023.5.10 documentation</title>
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<section id="pymatgen-alchemy-package">
<h1>pymatgen.alchemy package<a class="headerlink" href="#pymatgen-alchemy-package" title="Permalink to this heading"></a></h1>
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<h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this heading"></a></h2>
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<ul>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.alchemy.filters.html">pymatgen.alchemy.filters module</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.AbstractStructureFilter"><code class="docutils literal notranslate"><span class="pre">AbstractStructureFilter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.AbstractStructureFilter.test"><code class="docutils literal notranslate"><span class="pre">AbstractStructureFilter.test()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.ChargeBalanceFilter"><code class="docutils literal notranslate"><span class="pre">ChargeBalanceFilter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.ChargeBalanceFilter.test"><code class="docutils literal notranslate"><span class="pre">ChargeBalanceFilter.test()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.ContainsSpecieFilter"><code class="docutils literal notranslate"><span class="pre">ContainsSpecieFilter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.ContainsSpecieFilter.as_dict"><code class="docutils literal notranslate"><span class="pre">ContainsSpecieFilter.as_dict()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.ContainsSpecieFilter.from_dict"><code class="docutils literal notranslate"><span class="pre">ContainsSpecieFilter.from_dict()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.ContainsSpecieFilter.test"><code class="docutils literal notranslate"><span class="pre">ContainsSpecieFilter.test()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.RemoveDuplicatesFilter"><code class="docutils literal notranslate"><span class="pre">RemoveDuplicatesFilter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.RemoveDuplicatesFilter.test"><code class="docutils literal notranslate"><span class="pre">RemoveDuplicatesFilter.test()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.RemoveExistingFilter"><code class="docutils literal notranslate"><span class="pre">RemoveExistingFilter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.RemoveExistingFilter.as_dict"><code class="docutils literal notranslate"><span class="pre">RemoveExistingFilter.as_dict()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.RemoveExistingFilter.test"><code class="docutils literal notranslate"><span class="pre">RemoveExistingFilter.test()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.SpecieProximityFilter"><code class="docutils literal notranslate"><span class="pre">SpecieProximityFilter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.SpecieProximityFilter.as_dict"><code class="docutils literal notranslate"><span class="pre">SpecieProximityFilter.as_dict()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.SpecieProximityFilter.from_dict"><code class="docutils literal notranslate"><span class="pre">SpecieProximityFilter.from_dict()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.SpecieProximityFilter.test"><code class="docutils literal notranslate"><span class="pre">SpecieProximityFilter.test()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.SpeciesMaxDistFilter"><code class="docutils literal notranslate"><span class="pre">SpeciesMaxDistFilter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.filters.html#pymatgen.alchemy.filters.SpeciesMaxDistFilter.test"><code class="docutils literal notranslate"><span class="pre">SpeciesMaxDistFilter.test()</span></code></a></li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.alchemy.materials.html">pymatgen.alchemy.materials module</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure"><code class="docutils literal notranslate"><span class="pre">TransformedStructure</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.append_filter"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.append_filter()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.append_transformation"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.append_transformation()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.as_dict"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.as_dict()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.extend_transformations"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.extend_transformations()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.from_cif_string"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.from_cif_string()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.from_dict"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.from_dict()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.from_poscar_string"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.from_poscar_string()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.from_snl"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.from_snl()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.get_vasp_input"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.get_vasp_input()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.redo_next_change"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.redo_next_change()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.set_parameter"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.set_parameter()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.structures"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.structures</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.to_snl"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.to_snl()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.undo_last_change"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.undo_last_change()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.was_modified"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.was_modified</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.materials.html#pymatgen.alchemy.materials.TransformedStructure.write_vasp_input"><code class="docutils literal notranslate"><span class="pre">TransformedStructure.write_vasp_input()</span></code></a></li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.alchemy.transmuters.html">pymatgen.alchemy.transmuters module</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.CifTransmuter"><code class="docutils literal notranslate"><span class="pre">CifTransmuter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.CifTransmuter.from_filenames"><code class="docutils literal notranslate"><span class="pre">CifTransmuter.from_filenames()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.PoscarTransmuter"><code class="docutils literal notranslate"><span class="pre">PoscarTransmuter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.PoscarTransmuter.from_filenames"><code class="docutils literal notranslate"><span class="pre">PoscarTransmuter.from_filenames()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter</span></code></a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.add_tags"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.add_tags()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.append_transformation"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.append_transformation()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.append_transformed_structures"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.append_transformed_structures()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.apply_filter"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.apply_filter()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.extend_transformations"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.extend_transformations()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.from_structures"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.from_structures()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.redo_next_change"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.redo_next_change()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.set_parameter"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.set_parameter()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.undo_last_change"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.undo_last_change()</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.StandardTransmuter.write_vasp_input"><code class="docutils literal notranslate"><span class="pre">StandardTransmuter.write_vasp_input()</span></code></a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.alchemy.transmuters.html#pymatgen.alchemy.transmuters.batch_write_vasp_input"><code class="docutils literal notranslate"><span class="pre">batch_write_vasp_input()</span></code></a></li>
</ul>
</li>
</ul>
</div>
</section>
<section id="module-pymatgen.alchemy">
<span id="module-contents"></span><h2>Module contents<a class="headerlink" href="#module-pymatgen.alchemy" title="Permalink to this heading"></a></h2>
<p>This package provides the modules for performing large scale transformations on
a large number of structures.</p>
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