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shyuep committed Mar 22, 2022
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2 changes: 1 addition & 1 deletion docs/_static/documentation_options.js
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var DOCUMENTATION_OPTIONS = {
URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
VERSION: '2022.2.10',
VERSION: '2022.3.22',
LANGUAGE: 'None',
COLLAPSE_INDEX: false,
BUILDER: 'html',
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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 2022.2.10 documentation</title>
<title>Pymatgen Add-ons &mdash; pymatgen 2022.3.22 documentation</title>
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<a href="index.html" class="icon icon-home"> pymatgen
</a>
<div class="version">
2022.2.10
2022.3.22
</div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
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41 changes: 36 additions & 5 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 2022.2.10 documentation</title>
<title>Change log &mdash; pymatgen 2022.3.22 documentation</title>
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<a href="index.html" class="icon icon-home"> pymatgen
</a>
<div class="version">
2022.2.10
2022.3.22
</div>
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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="#v2022-3-22">v2022.3.22</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-3-7">v2022.3.7</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-2-10">v2022.2.10</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-2-7">v2022.2.7</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-2-1">v2022.2.1</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="v2022-3-22">
<h2>v2022.3.22<a class="headerlink" href="#v2022-3-22" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>Support kwargs for ASE adaptor. (&#64;arosen93)</p></li>
<li><p>Fix for cation error in Lobster analysis. (&#64;JaGeo)</p></li>
<li><p>Major revampt of Abstract interface for Input classes in IO. (&#64;rkingsbury)</p></li>
<li><p>Orbital-projected band center, band filling, band ceneter, skewness, kurtosis, etc. (&#64;arosen93)</p></li>
<li><p>Misc cleanups. (&#64;janosh)</p></li>
</ul>
</section>
<section id="v2022-3-7">
<h2>v2022.3.7<a class="headerlink" href="#v2022-3-7" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>Add VASP WSWQ file parsing, PR #2439 from &#64;jmmshn</p></li>
<li><p>Improve chemical potential diagram plotting, PR #2447 from &#64;mattmcdermott</p></li>
<li><p>Update to Lobster calculation settings, PR #2434 from &#64;JaGeo master</p></li>
<li><p>Allow non-integer G-vector cut-off values when parsing WAVECAR, PR #2410 from &#64;arosen93</p></li>
<li><p>Fix for Structure.from_file when file is in YAML format from &#64;janosh fix-structure-from-yml</p></li>
<li><p>Update of linter configuration, PR #2440 from &#64;janosh</p></li>
<li><p>Update to ChemEnv citation, PR #2448 from &#64;JaGeo</p></li>
<li><p>Type annotation fix, PR #2432 from &#64;janosh</p></li>
<li><p>Documentation fix for Structure.apply_operation, PR #2433 from &#64;janosh</p></li>
<li><p>Add caching to compatibility classes as speed optimization, PR #2450 from &#64;munrojm</p></li>
</ul>
<p>This release was previously intended for v2022.2.25.</p>
<p>Important note: an update to a library that pymatgen depends upon has led to the
~/.pmgrc.yml configuration file being corrupted for many users. If you are affected,
you may need to re-generate this file. This issue should now be fixed and not re-occur.</p>
</section>
<section id="v2022-2-10">
<h2>v2022.2.10<a class="headerlink" href="#v2022-2-10" title="Permalink to this headline"></a></h2>
<ul class="simple">
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<section id="v3-2-4">
<h2>v3.2.4<a class="headerlink" href="#v3-2-4" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>GaussianOutput can now parse frequencies, normal modes and cartesian forces
<li><p>GaussianOutput can now parse frequencies, normal modes and Cartesian forces
(Xin Chen).</p></li>
<li><p>Support for Aiida&lt;-&gt;pymatgen conversion by the Aiida development team (Andrius
Merkys).</p></li>
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<section id="v3-0-10">
<h2>v3.0.10<a class="headerlink" href="#v3-0-10" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>Fix cartesian coord parsing in Poscar class.</p></li>
<li><p>Fix Cartesian coord parsing in Poscar class.</p></li>
<li><p>Vasprun now works with non-GGA PBE runs</p></li>
<li><p>Misc bug fixes</p></li>
</ul>
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PDAnalyzer and PDPlotter in pymatgen.phasediagrams.</p></li>
<li><p>Improvements to StructureMatcher: stol (site - tolerance) redefined as
a fraction of the average length per atom. Structures matched in fractional
space are now also matched in cartesian space and a rms displacement
space are now also matched in Cartesian space and a rms displacement
normalized by length per atom can be returned using the rms_dist method.</p></li>
</ul>
</section>
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<meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" />

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<a href="index.html" class="icon icon-home"> pymatgen
</a>
<div class="version">
2022.2.10
2022.3.22
</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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