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26 changes: 18 additions & 8 deletions CHANGES.rst
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Change log
==========

v2022.0.4 / v2021.3.9
---------------------
* Element now has `ionization_energies`, `ionization_energy` and
`electron_affinity` properties.
* Extensive documentation has been added on pymatgen compatibility and the
new namespace architecture! We have also released a
`template repo <https://github.com/materialsproject/pymatgen-addon-template>`_
to help new developers write add-ons for pymatgen! Check out our
:doc:`contributing page</contributing>` for details.

v2022.0.3
---------
* Another bug fix release! Now SETTINGS have been moved to pymatgen.core.

v2022.0.2
---------
v2022.0.2 (Yanked)
------------------
* Bug fix release for missing package data files in v2022.0.1

v2022.0.1
---------
v2022.0.1 (Yanked)
------------------
* `pymatgen`, `pymatgen.ext`, `pymatgen.io` and `pymatgen.analysis` are now
namespace packages. Note that this does not affect normal usage of pymatgen
from v2022.0.0. All imports remain the same. However, it does allow developers
to write "add-ons" to these subpackages. A full documentation with examples
and templates is in the works to guide developers on how to write these
packages.

v2022.0.0
---------
v2022.0.0 (Yanked)
------------------
* This is the new version of pymatgen going forward. Root-level imports have been removed. Please see
https://pymatgen.org/compatibility.html on how to update your code for compatibility with v2022.

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released. Future critical bug fixes will be backported to v2021.x.x, but the main line of development will occur on
v2022.0.0 onwards.

v2021.3.4
---------
v2021.3.4 (Yanked)
------------------
* **Backwards incompatible**: Pymatgen root imports have been removed from
v2021.3.4 in preparation for a change to a more modular, extensible
architecture that will allow more developers to contribute.
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var DOCUMENTATION_OPTIONS = {
URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
VERSION: '2022.0.3',
VERSION: '2022.0.4',
LANGUAGE: 'None',
COLLAPSE_INDEX: false,
BUILDER: 'html',
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Pymatgen Add-ons &mdash; pymatgen 2022.0.3 documentation</title>
<title>Pymatgen Add-ons &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


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41 changes: 27 additions & 14 deletions docs/change_log.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Change log &mdash; pymatgen 2022.0.3 documentation</title>
<title>Change log &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</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="#v2022-0-4-v2021-3-9">v2022.0.4 / v2021.3.9</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-0-3">v2022.0.3</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-0-2">v2022.0.2</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-0-1">v2022.0.1</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-0-0">v2022.0.0</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-0-2-yanked">v2022.0.2 (Yanked)</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-0-1-yanked">v2022.0.1 (Yanked)</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2022-0-0-yanked">v2022.0.0 (Yanked)</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2021-3-5">v2021.3.5</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2021-3-4">v2021.3.4</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2021-3-4-yanked">v2021.3.4 (Yanked)</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2021-3-3">v2021.3.3</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2021-2-16">v2021.2.16</a></li>
<li class="toctree-l2"><a class="reference internal" href="#v2021-2-14">v2021.2.14</a></li>
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<div class="section" id="change-log">
<h1>Change log<a class="headerlink" href="#change-log" title="Permalink to this headline"></a></h1>
<div class="section" id="v2022-0-4-v2021-3-9">
<h2>v2022.0.4 / v2021.3.9<a class="headerlink" href="#v2022-0-4-v2021-3-9" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>Element now has <cite>ionization_energies</cite>, <cite>ionization_energy</cite> and
<cite>electron_affinity</cite> properties.</p></li>
<li><p>Extensive documentation has been added on pymatgen compatibility and the
new namespace architecture! We have also released a
<a class="reference external" href="https://github.com/materialsproject/pymatgen-addon-template">template repo</a>
to help new developers write add-ons for pymatgen! Check out our
<a class="reference internal" href="contributing.html"><span class="doc">contributing page</span></a> for details.</p></li>
</ul>
</div>
<div class="section" id="v2022-0-3">
<h2>v2022.0.3<a class="headerlink" href="#v2022-0-3" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>Another bug fix release! Now SETTINGS have been moved to pymatgen.core.</p></li>
</ul>
</div>
<div class="section" id="v2022-0-2">
<h2>v2022.0.2<a class="headerlink" href="#v2022-0-2" title="Permalink to this headline"></a></h2>
<div class="section" id="v2022-0-2-yanked">
<h2>v2022.0.2 (Yanked)<a class="headerlink" href="#v2022-0-2-yanked" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>Bug fix release for missing package data files in v2022.0.1</p></li>
</ul>
</div>
<div class="section" id="v2022-0-1">
<h2>v2022.0.1<a class="headerlink" href="#v2022-0-1" title="Permalink to this headline"></a></h2>
<div class="section" id="v2022-0-1-yanked">
<h2>v2022.0.1 (Yanked)<a class="headerlink" href="#v2022-0-1-yanked" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p><cite>pymatgen</cite>, <cite>pymatgen.ext</cite>, <cite>pymatgen.io</cite> and <cite>pymatgen.analysis</cite> are now
namespace packages. Note that this does not affect normal usage of pymatgen
Expand All @@ -475,8 +488,8 @@ <h2>v2022.0.1<a class="headerlink" href="#v2022-0-1" title="Permalink to this he
packages.</p></li>
</ul>
</div>
<div class="section" id="v2022-0-0">
<h2>v2022.0.0<a class="headerlink" href="#v2022-0-0" title="Permalink to this headline"></a></h2>
<div class="section" id="v2022-0-0-yanked">
<h2>v2022.0.0 (Yanked)<a class="headerlink" href="#v2022-0-0-yanked" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>This is the new version of pymatgen going forward. Root-level imports have been removed. Please see
<a class="reference external" href="https://pymatgen.org/compatibility.html">https://pymatgen.org/compatibility.html</a> on how to update your code for compatibility with v2022.</p></li>
Expand All @@ -490,8 +503,8 @@ <h2>v2021.3.5<a class="headerlink" href="#v2021-3-5" title="Permalink to this he
v2022.0.0 onwards.</p></li>
</ul>
</div>
<div class="section" id="v2021-3-4">
<h2>v2021.3.4<a class="headerlink" href="#v2021-3-4" title="Permalink to this headline"></a></h2>
<div class="section" id="v2021-3-4-yanked">
<h2>v2021.3.4 (Yanked)<a class="headerlink" href="#v2021-3-4-yanked" title="Permalink to this headline"></a></h2>
<ul>
<li><p><strong>Backwards incompatible</strong>: Pymatgen root imports have been removed from
v2021.3.4 in preparation for a change to a more modular, extensible
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4 changes: 2 additions & 2 deletions docs/compatibility.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Compatibility &mdash; pymatgen 2022.0.3 documentation</title>
<title>Compatibility &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


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4 changes: 2 additions & 2 deletions docs/contributing.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Contributing &mdash; pymatgen 2022.0.3 documentation</title>
<title>Contributing &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Index &mdash; pymatgen 2022.0.3 documentation</title>
<title>Index &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


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</li>
</ul></li>
<li><a href="pymatgen.analysis.nmr.html#pymatgen.analysis.nmr.ElectricFieldGradient">ElectricFieldGradient (class in pymatgen.analysis.nmr)</a>
</li>
<li><a href="pymatgen.core.periodic_table.html#pymatgen.core.periodic_table.ElementBase.electron_affinity">electron_affinity() (ElementBase property)</a>
</li>
<li><a href="pymatgen.io.vasp.inputs.html#pymatgen.io.vasp.inputs.PotcarSingle.electron_configuration">electron_configuration() (PotcarSingle property)</a>
</li>
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16 changes: 11 additions & 5 deletions docs/index.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Introduction &mdash; pymatgen 2022.0.3 documentation</title>
<title>Introduction &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


Expand Down Expand Up @@ -298,10 +298,16 @@ <h2>Why use pymatgen?<a class="headerlink" href="#why-use-pymatgen" title="Perma
</div>
<div class="section" id="change-log">
<h2>Change log<a class="headerlink" href="#change-log" title="Permalink to this headline"></a></h2>
<div class="section" id="v2022-0-3">
<h3>v2022.0.3<a class="headerlink" href="#v2022-0-3" title="Permalink to this headline"></a></h3>
<div class="section" id="v2022-0-4-v2021-3-9">
<h3>v2022.0.4 / v2021.3.9<a class="headerlink" href="#v2022-0-4-v2021-3-9" title="Permalink to this headline"></a></h3>
<ul class="simple">
<li><p>Another bug fix release! Now SETTINGS have been moved to pymatgen.core.</p></li>
<li><p>Element now has <cite>ionization_energies</cite>, <cite>ionization_energy</cite> and
<cite>electron_affinity</cite> properties.</p></li>
<li><p>Extensive documentation has been added on pymatgen compatibility and the
new namespace architecture! We have also released a
<a class="reference external" href="https://github.com/materialsproject/pymatgen-addon-template">template repo</a>
to help new developers write add-ons for pymatgen! Check out our
<a class="reference internal" href="contributing.html"><span class="doc">contributing page</span></a> for details.</p></li>
</ul>
<p><a class="reference internal" href="change_log.html"><span class="doc">Older versions</span></a></p>
</div>
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4 changes: 2 additions & 2 deletions docs/installation.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Installation &mdash; pymatgen 2022.0.3 documentation</title>
<title>Installation &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


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18 changes: 12 additions & 6 deletions docs/introduction.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Introduction &mdash; pymatgen 2022.0.3 documentation</title>
<title>Introduction &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


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<li class="toctree-l2"><a class="reference internal" href="#matgenie-examples">Matgenie &amp; Examples</a></li>
<li class="toctree-l2"><a class="reference internal" href="#why-use-pymatgen">Why use pymatgen?</a></li>
<li class="toctree-l2"><a class="reference internal" href="#change-log">Change log</a><ul>
<li class="toctree-l3"><a class="reference internal" href="#v2022-0-3">v2022.0.3</a></li>
<li class="toctree-l3"><a class="reference internal" href="#v2022-0-4-v2021-3-9">v2022.0.4 / v2021.3.9</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="#getting-pymatgen">Getting pymatgen</a></li>
Expand Down Expand Up @@ -319,10 +319,16 @@ <h2>Why use pymatgen?<a class="headerlink" href="#why-use-pymatgen" title="Perma
</div>
<div class="section" id="change-log">
<h2>Change log<a class="headerlink" href="#change-log" title="Permalink to this headline"></a></h2>
<div class="section" id="v2022-0-3">
<h3>v2022.0.3<a class="headerlink" href="#v2022-0-3" title="Permalink to this headline"></a></h3>
<div class="section" id="v2022-0-4-v2021-3-9">
<h3>v2022.0.4 / v2021.3.9<a class="headerlink" href="#v2022-0-4-v2021-3-9" title="Permalink to this headline"></a></h3>
<ul class="simple">
<li><p>Another bug fix release! Now SETTINGS have been moved to pymatgen.core.</p></li>
<li><p>Element now has <cite>ionization_energies</cite>, <cite>ionization_energy</cite> and
<cite>electron_affinity</cite> properties.</p></li>
<li><p>Extensive documentation has been added on pymatgen compatibility and the
new namespace architecture! We have also released a
<a class="reference external" href="https://github.com/materialsproject/pymatgen-addon-template">template repo</a>
to help new developers write add-ons for pymatgen! Check out our
<a class="reference internal" href="contributing.html"><span class="doc">contributing page</span></a> for details.</p></li>
</ul>
<p><a class="reference internal" href="change_log.html"><span class="doc">Older versions</span></a></p>
</div>
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16 changes: 11 additions & 5 deletions docs/latest_changes.html
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>Change log &mdash; pymatgen 2022.0.3 documentation</title>
<title>Change log &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


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<div class="section" id="change-log">
<h1>Change log<a class="headerlink" href="#change-log" title="Permalink to this headline"></a></h1>
<div class="section" id="v2022-0-3">
<h2>v2022.0.3<a class="headerlink" href="#v2022-0-3" title="Permalink to this headline"></a></h2>
<div class="section" id="v2022-0-4-v2021-3-9">
<h2>v2022.0.4 / v2021.3.9<a class="headerlink" href="#v2022-0-4-v2021-3-9" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li><p>Another bug fix release! Now SETTINGS have been moved to pymatgen.core.</p></li>
<li><p>Element now has <cite>ionization_energies</cite>, <cite>ionization_energy</cite> and
<cite>electron_affinity</cite> properties.</p></li>
<li><p>Extensive documentation has been added on pymatgen compatibility and the
new namespace architecture! We have also released a
<a class="reference external" href="https://github.com/materialsproject/pymatgen-addon-template">template repo</a>
to help new developers write add-ons for pymatgen! Check out our
<a class="reference internal" href="contributing.html"><span class="doc">contributing page</span></a> for details.</p></li>
</ul>
</div>
</div>
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<meta name="viewport" content="width=device-width, initial-scale=1.0">

<title>pymatgen &mdash; pymatgen 2022.0.3 documentation</title>
<title>pymatgen &mdash; pymatgen 2022.0.4 documentation</title>



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<div class="version">
2022.0.3
2022.0.4
</div>


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