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3 changes: 2 additions & 1 deletion docs/_static/basic.css
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*
* Sphinx stylesheet -- basic theme.
*
* :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
* :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
* :license: BSD, see LICENSE for details.
*
*/
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-ms-hyphens: none;
-webkit-hyphens: none;
hyphens: none;
white-space: nowrap;
}

div[class*="highlight-"] {
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5 changes: 4 additions & 1 deletion docs/_static/doctools.js
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*
* Sphinx JavaScript utilities for all documentation.
*
* :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
* :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
* :license: BSD, see LICENSE for details.
*
*/
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hideSearchWords : function() {
$('#searchbox .highlight-link').fadeOut(300);
$('span.highlighted').removeClass('highlighted');
var url = new URL(window.location);
url.searchParams.delete('highlight');
window.history.replaceState({}, '', url);
},

/**
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var DOCUMENTATION_OPTIONS = {
URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
VERSION: '2022.01.09',
VERSION: '2022.1.20',
LANGUAGE: 'None',
COLLAPSE_INDEX: false,
BUILDER: 'html',
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2 changes: 1 addition & 1 deletion docs/_static/language_data.js
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* This script contains the language-specific data used by searchtools.js,
* namely the list of stopwords, stemmer, scorer and splitter.
*
* :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
* :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
* :license: BSD, see LICENSE for details.
*
*/
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2 changes: 1 addition & 1 deletion docs/_static/searchtools.js
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*
* Sphinx JavaScript utilities for the full-text search.
*
* :copyright: Copyright 2007-2021 by the Sphinx team, see AUTHORS.
* :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
* :license: BSD, see LICENSE for details.
*
*/
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4 changes: 2 additions & 2 deletions docs/addons.html
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<meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" />

<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Pymatgen Add-ons &mdash; pymatgen 2022.01.09 documentation</title>
<title>Pymatgen Add-ons &mdash; pymatgen 2022.1.20 documentation</title>
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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<a href="index.html" class="icon icon-home"> pymatgen
</a>
<div class="version">
2022.01.09
2022.1.20
</div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
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17 changes: 15 additions & 2 deletions docs/change_log.html
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<meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" />

<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Change log &mdash; pymatgen 2022.01.09 documentation</title>
<title>Change log &mdash; pymatgen 2022.1.20 documentation</title>
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
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<a href="index.html" class="icon icon-home"> pymatgen
</a>
<div class="version">
2022.01.09
2022.1.20
</div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
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<li class="toctree-l1"><a class="reference internal" href="introduction.html">Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="installation.html">Installation</a></li>
<li class="toctree-l1 current"><a class="current reference internal" href="#">Change log</a><ul>
<li class="toctree-l2"><a class="reference internal" href="#v2022-1-20">v2022.1.20</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-1-9">v2022.1.9</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-1-8">v2022.1.8</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-0-17">v2022.0.17</a></li>
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<section id="change-log">
<h1>Change log<a class="headerlink" href="#change-log" title="Permalink to this headline"></a></h1>
<section id="v2022-1-20">
<h2>v2022.1.20<a class="headerlink" href="#v2022-1-20" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>Unicode fixes (&#64;janosh)</p></li>
<li><p>YAML deprecation fixes. (&#64;janosh)</p></li>
<li><p>ASE adaptor support for charge, spin multiiciplity and site properties of molecules. (&#64;arosen93).</p></li>
<li><p>New keyword option (<cite>keep_site_properties</cite>) in various <cite>structure.symmetry.analyzer</cite> functions to keep the site properties on the sites after a transformation. (&#64;arosen93)</p></li>
<li><p>Bug fixes for Lobster module (&#64;JaGeo).</p></li>
<li><p>SCAN / GGA(+U) mixing scheme (&#64;rkingsbury). Mixing scheme code lives in the new file <cite>mixing_scheme.py</cite> and is implemented as a <cite>Compatibility</cite> class.</p></li>
<li><p>Fix for parsing of QuantumExpresso files due to new format (&#64;vorwerkc)</p></li>
</ul>
</section>
<section id="v2022-1-9">
<h2>v2022.1.9<a class="headerlink" href="#v2022-1-9" title="Permalink to this headline"></a></h2>
<ul class="simple">
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<meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" />

<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Compatibility &mdash; pymatgen 2022.01.09 documentation</title>
<title>Compatibility &mdash; pymatgen 2022.1.20 documentation</title>
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
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<a href="index.html" class="icon icon-home"> pymatgen
</a>
<div class="version">
2022.01.09
2022.1.20
</div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
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4 changes: 2 additions & 2 deletions docs/contributing.html
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<meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" />

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<title>Contributing &mdash; pymatgen 2022.01.09 documentation</title>
<title>Contributing &mdash; pymatgen 2022.1.20 documentation</title>
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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<a href="index.html" class="icon icon-home"> pymatgen
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<div class="version">
2022.01.09
2022.1.20
</div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
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43 changes: 34 additions & 9 deletions docs/genindex.html
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<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Index &mdash; pymatgen 2022.01.09 documentation</title>
<title>Index &mdash; pymatgen 2022.1.20 documentation</title>
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
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<a href="index.html" class="icon icon-home"> pymatgen
</a>
<div class="version">
2022.01.09
2022.1.20
</div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
Expand Down Expand Up @@ -2485,10 +2485,10 @@ <h2 id="D">D</h2>
</li>
<li><a href="pymatgen.transformations.advanced_transformations.html#pymatgen.transformations.advanced_transformations.MagOrderingTransformation.determine_min_cell">determine_min_cell() (MagOrderingTransformation static method)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="pymatgen.analysis.elasticity.stress.html#pymatgen.analysis.elasticity.stress.Stress.dev_principal_invariants">dev_principal_invariants (Stress property)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="pymatgen.analysis.elasticity.stress.html#pymatgen.analysis.elasticity.stress.Stress.deviator_stress">deviator_stress (Stress property)</a>
</li>
<li><a href="pymatgen.io.cp2k.inputs.html#pymatgen.io.cp2k.inputs.Dft">Dft (class in pymatgen.io.cp2k.inputs)</a>
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<li><a href="pymatgen.util.string.html#pymatgen.util.string.disordered_formula">disordered_formula() (in module pymatgen.util.string)</a>
</li>
<li><a href="pymatgen.transformations.advanced_transformations.html#pymatgen.transformations.advanced_transformations.DisorderOrderedTransformation">DisorderOrderedTransformation (class in pymatgen.transformations.advanced_transformations)</a>
</li>
<li><a href="pymatgen.entries.mixing_scheme.html#pymatgen.entries.mixing_scheme.MaterialsProjectDFTMixingScheme.display_entries">display_entries() (MaterialsProjectDFTMixingScheme static method)</a>
</li>
<li><a href="pymatgen.vis.structure_vtk.html#pymatgen.vis.structure_vtk.MultiStructuresVis.display_help">display_help() (MultiStructuresVis method)</a>

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<li><a href="pymatgen.entries.compatibility.html#pymatgen.entries.compatibility.MaterialsProject2020Compatibility.get_adjustments">(MaterialsProject2020Compatibility method)</a>
</li>
<li><a href="pymatgen.entries.compatibility.html#pymatgen.entries.compatibility.MaterialsProjectAqueousCompatibility.get_adjustments">(MaterialsProjectAqueousCompatibility method)</a>
</li>
<li><a href="pymatgen.entries.mixing_scheme.html#pymatgen.entries.mixing_scheme.MaterialsProjectDFTMixingScheme.get_adjustments">(MaterialsProjectDFTMixingScheme method)</a>
</li>
</ul></li>
<li><a href="pymatgen.analysis.structure_matcher.html#pymatgen.analysis.structure_matcher.StructureMatcher.get_all_anonymous_mappings">get_all_anonymous_mappings() (StructureMatcher method)</a>
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<li><a href="pymatgen.apps.battery.insertion_battery.html#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_min_instability">get_min_instability() (InsertionElectrode method)</a>
</li>
<li><a href="pymatgen.apps.battery.insertion_battery.html#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_min_muO2">get_min_muO2() (InsertionElectrode method)</a>
</li>
<li><a href="pymatgen.entries.mixing_scheme.html#pymatgen.entries.mixing_scheme.MaterialsProjectDFTMixingScheme.get_mixing_state_data">get_mixing_state_data() (MaterialsProjectDFTMixingScheme method)</a>
</li>
<li><a href="pymatgen.io.ase.html#pymatgen.io.ase.AseAtomsAdaptor.get_molecule">get_molecule() (AseAtomsAdaptor static method)</a>
</li>
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<li><a href="pymatgen.analysis.interfaces.substrate_analyzer.html#pymatgen.analysis.interfaces.substrate_analyzer.SubstrateMatch.ground_state_energy">ground_state_energy (SubstrateMatch attribute)</a>
</li>
<li><a href="pymatgen.core.periodic_table.html#pymatgen.core.periodic_table.ElementBase.ground_state_term_symbol">ground_state_term_symbol (ElementBase property)</a>
</li>
<li><a href="pymatgen.entries.entry_tools.html#pymatgen.entries.entry_tools.EntrySet.ground_states">ground_states (EntrySet property)</a>
</li>
<li><a href="pymatgen.core.periodic_table.html#pymatgen.core.periodic_table.ElementBase.group">group (ElementBase property)</a>
</li>
<li><a href="pymatgen.core.structure.html#pymatgen.core.structure.SiteCollection.group_by_types">group_by_types() (SiteCollection method)</a>
</li>
<li><a href="pymatgen.entries.entry_tools.html#pymatgen.entries.entry_tools.group_entries_by_composition">group_entries_by_composition() (in module pymatgen.entries.entry_tools)</a>
</li>
<li><a href="pymatgen.entries.entry_tools.html#pymatgen.entries.entry_tools.group_entries_by_structure">group_entries_by_structure() (in module pymatgen.entries.entry_tools)</a>
</li>
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</li>
</ul></li>
<li><a href="pymatgen.core.libxcfunc.html#pymatgen.core.libxcfunc.LibxcFunc.is_gga_family">is_gga_family (LibxcFunc property)</a>
</li>
<li><a href="pymatgen.entries.entry_tools.html#pymatgen.entries.entry_tools.EntrySet.is_ground_state">is_ground_state() (EntrySet method)</a>
</li>
<li><a href="pymatgen.core.periodic_table.html#pymatgen.core.periodic_table.ElementBase.is_halogen">is_halogen (ElementBase property)</a>
</li>
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<li><a href="pymatgen.entries.compatibility.html#pymatgen.entries.compatibility.MaterialsProjectAqueousCompatibility">MaterialsProjectAqueousCompatibility (class in pymatgen.entries.compatibility)</a>
</li>
<li><a href="pymatgen.entries.compatibility.html#pymatgen.entries.compatibility.MaterialsProjectCompatibility">MaterialsProjectCompatibility (class in pymatgen.entries.compatibility)</a>
</li>
<li><a href="pymatgen.entries.mixing_scheme.html#pymatgen.entries.mixing_scheme.MaterialsProjectDFTMixingScheme">MaterialsProjectDFTMixingScheme (class in pymatgen.entries.mixing_scheme)</a>
</li>
<li><a href="pymatgen.core.lattice.html#pymatgen.core.lattice.Lattice.matrix">matrix (Lattice property)</a>
</li>
<li><a href="pymatgen.analysis.solar.slme.html#pymatgen.analysis.solar.slme.matrix_eigvals">matrix_eigvals() (in module pymatgen.analysis.solar.slme)</a>
</li>
<li><a href="pymatgen.analysis.chemenv.utils.coordination_geometry_utils.html#pymatgen.analysis.chemenv.utils.coordination_geometry_utils.matrixTimesVector">matrixTimesVector() (in module pymatgen.analysis.chemenv.utils.coordination_geometry_utils)</a>
</li>
<li><a href="pymatgen.apps.battery.analyzer.html#pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_cation_insertion">max_cation_insertion (BatteryAnalyzer property)</a>
</li>
<li><a href="pymatgen.apps.battery.analyzer.html#pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_cation_removal">max_cation_removal (BatteryAnalyzer property)</a>
</li>
<li><a href="pymatgen.analysis.structure_analyzer.html#pymatgen.analysis.structure_analyzer.VoronoiConnectivity.max_connectivity">max_connectivity (VoronoiConnectivity property)</a>
</li>
<li><a href="pymatgen.apps.battery.battery_abc.html#pymatgen.apps.battery.battery_abc.AbstractElectrode.max_delta_volume">max_delta_volume (AbstractElectrode property)</a>
</li>
<li><a href="pymatgen.core.molecular_orbitals.html#pymatgen.core.molecular_orbitals.MolecularOrbitals.max_electronegativity">max_electronegativity() (MolecularOrbitals method)</a>
</li>
<li><a href="pymatgen.apps.battery.analyzer.html#pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_ion_insertion">max_ion_insertion (BatteryAnalyzer property)</a>
</li>
<li><a href="pymatgen.apps.battery.analyzer.html#pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_ion_removal">max_ion_removal (BatteryAnalyzer property)</a>
</li>
<li><a href="pymatgen.core.periodic_table.html#pymatgen.core.periodic_table.ElementBase.max_oxidation_state">max_oxidation_state (ElementBase property)</a>
</li>
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<li><a href="pymatgen.entries.entry_tools.html#module-pymatgen.entries.entry_tools">pymatgen.entries.entry_tools</a>
</li>
<li><a href="pymatgen.entries.exp_entries.html#module-pymatgen.entries.exp_entries">pymatgen.entries.exp_entries</a>
</li>
<li><a href="pymatgen.entries.mixing_scheme.html#module-pymatgen.entries.mixing_scheme">pymatgen.entries.mixing_scheme</a>
</li>
<li><a href="pymatgen.ext.html#module-pymatgen.ext">pymatgen.ext</a>
</li>
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<ul>
<li><a href="pymatgen.entries.compatibility.html#pymatgen.entries.compatibility.MaterialsProjectAqueousCompatibility.process_entries">(MaterialsProjectAqueousCompatibility method)</a>
</li>
<li><a href="pymatgen.entries.mixing_scheme.html#pymatgen.entries.mixing_scheme.MaterialsProjectDFTMixingScheme.process_entries">(MaterialsProjectDFTMixingScheme method)</a>
</li>
</ul></li>
<li><a href="pymatgen.entries.compatibility.html#pymatgen.entries.compatibility.Compatibility.process_entry">process_entry() (Compatibility method)</a>
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<ul>
<li><a href="pymatgen.entries.exp_entries.html#module-pymatgen.entries.exp_entries">module</a>
</li>
</ul></li>
<li>
pymatgen.entries.mixing_scheme

<ul>
<li><a href="pymatgen.entries.mixing_scheme.html#module-pymatgen.entries.mixing_scheme">module</a>
</li>
</ul></li>
<li>
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</li>
<li><a href="pymatgen.core.interface.html#pymatgen.core.interface.Interface.substrate">substrate (Interface property)</a>
</li>
<li><a href="pymatgen.core.interface.html#pymatgen.core.interface.Interface.substrate_indicies">substrate_indicies (Interface property)</a>
<li><a href="pymatgen.core.interface.html#pymatgen.core.interface.Interface.substrate_indices">substrate_indices (Interface property)</a>
</li>
<li><a href="pymatgen.core.interface.html#pymatgen.core.interface.Interface.substrate_layers">substrate_layers (Interface property)</a>
</li>
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