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<!DOCTYPE html>
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<title>pymatgen.analysis package — pymatgen 2019.5.1 documentation</title>
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<div class="section" id="pymatgen-analysis-package">
<h1>pymatgen.analysis package<a class="headerlink" href="#pymatgen-analysis-package" title="Permalink to this headline">¶</a></h1>
<div class="section" id="subpackages">
<h2>Subpackages<a class="headerlink" href="#subpackages" title="Permalink to this headline">¶</a></h2>
<div class="toctree-wrapper compound">
<ul>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.chemenv.html">pymatgen.analysis.chemenv package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.chemenv.html#subpackages">Subpackages</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.html">pymatgen.analysis.chemenv.coordination_environments package</a><ul>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.html#subpackages">Subpackages</a><ul>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries_files.html">pymatgen.analysis.chemenv.coordination_environments.coordination_geometries_files package</a><ul>
<li class="toctree-l6"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries_files.html#module-pymatgen.analysis.chemenv.coordination_environments.coordination_geometries_files">Module contents</a></li>
</ul>
</li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.strategy_files.html">pymatgen.analysis.chemenv.coordination_environments.strategy_files package</a><ul>
<li class="toctree-l6"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.strategy_files.html#module-pymatgen.analysis.chemenv.coordination_environments.strategy_files">Module contents</a></li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.html#submodules">Submodules</a><ul>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies.html">pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.coordination_geometries.html">pymatgen.analysis.chemenv.coordination_environments.coordination_geometries module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder.html">pymatgen.analysis.chemenv.coordination_environments.coordination_geometry_finder module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.structure_environments.html">pymatgen.analysis.chemenv.coordination_environments.structure_environments module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.voronoi.html">pymatgen.analysis.chemenv.coordination_environments.voronoi module</a></li>
</ul>
</li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.analysis.chemenv.coordination_environments.html#module-pymatgen.analysis.chemenv.coordination_environments">Module contents</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.html">pymatgen.analysis.chemenv.utils package</a><ul>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.html#subpackages">Subpackages</a><ul class="simple">
</ul>
</li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.html#submodules">Submodules</a><ul>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.chemenv_config.html">pymatgen.analysis.chemenv.utils.chemenv_config module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.chemenv_errors.html">pymatgen.analysis.chemenv.utils.chemenv_errors module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.coordination_geometry_utils.html">pymatgen.analysis.chemenv.utils.coordination_geometry_utils module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.defs_utils.html">pymatgen.analysis.chemenv.utils.defs_utils module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.func_utils.html">pymatgen.analysis.chemenv.utils.func_utils module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.math_utils.html">pymatgen.analysis.chemenv.utils.math_utils module</a></li>
<li class="toctree-l5"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.scripts_utils.html">pymatgen.analysis.chemenv.utils.scripts_utils module</a></li>
</ul>
</li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.analysis.chemenv.utils.html#module-pymatgen.analysis.chemenv.utils">Module contents</a></li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.chemenv.html#module-pymatgen.analysis.chemenv">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.cost.html">pymatgen.analysis.cost package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.cost.html#subpackages">Subpackages</a><ul class="simple">
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.cost.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.cost.cost.html">pymatgen.analysis.cost.cost module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.cost.html#module-pymatgen.analysis.cost">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.defects.html">pymatgen.analysis.defects package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.defects.html#subpackages">Subpackages</a><ul class="simple">
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.defects.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.defects.core.html">pymatgen.analysis.defects.core module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.defects.corrections.html">pymatgen.analysis.defects.corrections module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.defects.defect_compatibility.html">pymatgen.analysis.defects.defect_compatibility module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.defects.dilute_solution_model.html">pymatgen.analysis.defects.dilute_solution_model module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.defects.generators.html">pymatgen.analysis.defects.generators module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.defects.thermodynamics.html">pymatgen.analysis.defects.thermodynamics module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.defects.utils.html">pymatgen.analysis.defects.utils module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.defects.html#module-pymatgen.analysis.defects">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.diffraction.html">pymatgen.analysis.diffraction package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.diffraction.html#subpackages">Subpackages</a><ul class="simple">
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.diffraction.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.diffraction.core.html">pymatgen.analysis.diffraction.core module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.diffraction.neutron.html">pymatgen.analysis.diffraction.neutron module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.diffraction.xrd.html">pymatgen.analysis.diffraction.xrd module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.diffraction.html#module-pymatgen.analysis.diffraction">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.elasticity.html">pymatgen.analysis.elasticity package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.elasticity.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.elasticity.elastic.html">pymatgen.analysis.elasticity.elastic module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.elasticity.strain.html">pymatgen.analysis.elasticity.strain module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.elasticity.stress.html">pymatgen.analysis.elasticity.stress module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.elasticity.tensors.html">pymatgen.analysis.elasticity.tensors module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.elasticity.html#module-pymatgen.analysis.elasticity">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.ferroelectricity.html">pymatgen.analysis.ferroelectricity package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.ferroelectricity.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.ferroelectricity.polarization.html">pymatgen.analysis.ferroelectricity.polarization module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.ferroelectricity.html#module-pymatgen.analysis.ferroelectricity">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.gb.html">pymatgen.analysis.gb package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.gb.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.gb.grain.html">pymatgen.analysis.gb.grain module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.gb.html#module-pymatgen.analysis.gb">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.hhi.html">pymatgen.analysis.hhi package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.hhi.html#subpackages">Subpackages</a><ul class="simple">
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.hhi.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.hhi.hhi.html">pymatgen.analysis.hhi.hhi module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.hhi.html#module-pymatgen.analysis.hhi">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.magnetism.html">pymatgen.analysis.magnetism package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.magnetism.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.magnetism.analyzer.html">pymatgen.analysis.magnetism.analyzer module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.magnetism.jahnteller.html">pymatgen.analysis.magnetism.jahnteller module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.magnetism.html#module-pymatgen.analysis.magnetism">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.structure_prediction.html">pymatgen.analysis.structure_prediction package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.structure_prediction.html#subpackages">Subpackages</a><ul class="simple">
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.structure_prediction.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.structure_prediction.dopant_predictor.html">pymatgen.analysis.structure_prediction.dopant_predictor module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.structure_prediction.substitution_probability.html">pymatgen.analysis.structure_prediction.substitution_probability module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.structure_prediction.substitutor.html">pymatgen.analysis.structure_prediction.substitutor module</a></li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.structure_prediction.volume_predictor.html">pymatgen.analysis.structure_prediction.volume_predictor module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.structure_prediction.html#module-pymatgen.analysis.structure_prediction">Module contents</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.xas.html">pymatgen.analysis.xas package</a><ul>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.xas.html#subpackages">Subpackages</a><ul class="simple">
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.xas.html#submodules">Submodules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.analysis.xas.spectrum.html">pymatgen.analysis.xas.spectrum module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="pymatgen.analysis.xas.html#module-pymatgen.analysis.xas">Module contents</a></li>
</ul>
</li>
</ul>
</div>
</div>
<div class="section" id="submodules">
<h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this headline">¶</a></h2>
<div class="toctree-wrapper compound">
<ul>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.adsorption.html">pymatgen.analysis.adsorption module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.aflow_prototypes.html">pymatgen.analysis.aflow_prototypes module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.bond_dissociation.html">pymatgen.analysis.bond_dissociation module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.bond_valence.html">pymatgen.analysis.bond_valence module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.diffusion_analyzer.html">pymatgen.analysis.diffusion_analyzer module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.dimensionality.html">pymatgen.analysis.dimensionality module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.energy_models.html">pymatgen.analysis.energy_models module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.eos.html">pymatgen.analysis.eos module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.ewald.html">pymatgen.analysis.ewald module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.excitation.html">pymatgen.analysis.excitation module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.find_dimension.html">pymatgen.analysis.find_dimension module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.fragmenter.html">pymatgen.analysis.fragmenter module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.functional_groups.html">pymatgen.analysis.functional_groups module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.graphs.html">pymatgen.analysis.graphs module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.interface_reactions.html">pymatgen.analysis.interface_reactions module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.local_env.html">pymatgen.analysis.local_env module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.molecule_matcher.html">pymatgen.analysis.molecule_matcher module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.molecule_structure_comparator.html">pymatgen.analysis.molecule_structure_comparator module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.nmr.html">pymatgen.analysis.nmr module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.path_finder.html">pymatgen.analysis.path_finder module</a></li>
<li class="toctree-l1"><a class="reference internal" href="pymatgen.analysis.phase_diagram.html">pymatgen.analysis.phase_diagram module</a></li>
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<div class="section" id="module-pymatgen.analysis">
<span id="module-contents"></span><h2>Module contents<a class="headerlink" href="#module-pymatgen.analysis" title="Permalink to this headline">¶</a></h2>
<p>This package is an overarching package for modules performing various analyses
of materials data.</p>
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