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12 changes: 6 additions & 6 deletions _sources/apidocs/easyunfold/easyunfold.md
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Expand Up @@ -14,14 +14,14 @@
:maxdepth: 1
easyunfold.cli
easyunfold.unfold
easyunfold.utils
easyunfold.effective_mass
easyunfold.wavecar
easyunfold.wavefun
easyunfold.vasp_constant
easyunfold.plotting
easyunfold.effective_mass
easyunfold.procar
easyunfold.utils
easyunfold.unfold
easyunfold.plotting
easyunfold.wavefun
```

## Package Contents
Expand All @@ -43,7 +43,7 @@ easyunfold.unfold
````{py:data} __version__
:canonical: easyunfold.__version__
:value: >
'0.3.6'
'0.3.7'
```{autodoc2-docstring} easyunfold.__version__
```
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10 changes: 9 additions & 1 deletion _sources/apidocs/easyunfold/easyunfold.unfold.md
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Expand Up @@ -353,14 +353,22 @@ Bases: {py:obj}`monty.json.MSONable`
````
````{py:method} get_kpoint_distances()
````{py:method} get_kpoint_distances(hide_discontinuities: bool = True)
:canonical: easyunfold.unfold.UnfoldKSet.get_kpoint_distances
```{autodoc2-docstring} easyunfold.unfold.UnfoldKSet.get_kpoint_distances
```
````
````{py:method} get_combined_kpoint_labels()
:canonical: easyunfold.unfold.UnfoldKSet.get_combined_kpoint_labels
```{autodoc2-docstring} easyunfold.unfold.UnfoldKSet.get_combined_kpoint_labels
```
````
`````

````{py:function} LorentzSmearing(x, x0, sigma=0.02)
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1 change: 1 addition & 0 deletions _sources/index.md
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Expand Up @@ -64,6 +64,7 @@ If you use `easyunfold` in your work, please cite:
We'll add papers that use `easyunfold` to this list as they come out!

- K. Eggestad, B. A. D. Williamson, D. Meier and S. M. Selbach **_Mobile Intrinsic Point Defects for Conductive Neutral Domain Walls in LiNbO<sub>3</sub>_** [_ChemRxiv_](https://chemrxiv.org/engage/chemrxiv/article-details/6687aa33c9c6a5c07a59a394) 2024
- L. Zhang et al. **_Study of native point defects in Al<sub>0.5</sub>Ga<sub>0.5</sub>N by first principles calculations_** [_Computational Materials Science_](https://doi.org/10.1016/j.commatsci.2024.113312) 2024
- S. M. Liga & S. R. Kavanagh, A. Walsh, D. O. Scanlon and G. Konstantatos **_Mixed-Cation Vacancy-Ordered Perovskites (Cs<sub>2</sub>Ti<sub>1–x</sub>Sn<sub>x</sub>X<sub>6</sub>; X = I or Br): Low-Temperature Miscibility, Additivity, and Tunable Stability_** [_Journal of Physical Chemistry C_](https://doi.org/10.1021/acs.jpcc.3c05204) 2023
- Y. T. Huang & S. R. Kavanagh et al. **_Strong absorption and ultrafast localisation in NaBiS<sub>2</sub> nanocrystals with slow charge-carrier recombination_** [_Nature Communications_](https://www.nature.com/articles/s41467-022-32669-3) 2022
- A. T. J. Nicolson et al. **_Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn<sub>2</sub>SbS<sub>2</sub>I<sub>3</sub>_** [_Journal of the Americal Chemical Society_](https://doi.org/10.1021/jacs.2c13336) 2023
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16 changes: 8 additions & 8 deletions apidocs/easyunfold/easyunfold.cli.html
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Expand Up @@ -47,7 +47,7 @@
<script>DOCUMENTATION_OPTIONS.pagename = 'apidocs/easyunfold/easyunfold.cli';</script>
<link rel="index" title="Index" href="../../genindex.html" />
<link rel="search" title="Search" href="../../search.html" />
<link rel="next" title="easyunfold.wavecar" href="easyunfold.wavecar.html" />
<link rel="next" title="easyunfold.unfold" href="easyunfold.unfold.html" />
<link rel="prev" title="easyunfold" href="easyunfold.html" />
<meta name="viewport" content="width=device-width, initial-scale=1"/>
<meta name="docsearch:language" content="en"/>
Expand Down Expand Up @@ -209,14 +209,14 @@
<li class="toctree-l1 current active has-children"><a class="reference internal" href="../index.html">API Reference</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
<li class="toctree-l2 current active has-children"><a class="reference internal" href="easyunfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold</span></code></a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
<li class="toctree-l3 current active"><a class="current reference internal" href="#"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.cli</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.unfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.utils.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.effective_mass.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.effective_mass</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavecar.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavecar</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavefun.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavefun</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.vasp_constant.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.vasp_constant</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.plotting.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.effective_mass.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.effective_mass</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.procar.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.procar</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.utils.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.unfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.plotting.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavefun.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavefun</span></code></a></li>
</ul>
</details></li>
</ul>
Expand Down Expand Up @@ -643,11 +643,11 @@ <h3>API<a class="headerlink" href="#api" title="Permalink to this heading">#</a>
</div>
</a>
<a class="right-next"
href="easyunfold.wavecar.html"
href="easyunfold.unfold.html"
title="next page">
<div class="prev-next-info">
<p class="prev-next-subtitle">next</p>
<p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavecar</span></code></p>
<p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></p>
</div>
<i class="fa-solid fa-angle-right"></i>
</a>
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22 changes: 11 additions & 11 deletions apidocs/easyunfold/easyunfold.effective_mass.html
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Expand Up @@ -47,8 +47,8 @@
<script>DOCUMENTATION_OPTIONS.pagename = 'apidocs/easyunfold/easyunfold.effective_mass';</script>
<link rel="index" title="Index" href="../../genindex.html" />
<link rel="search" title="Search" href="../../search.html" />
<link rel="next" title="easyunfold.procar" href="easyunfold.procar.html" />
<link rel="prev" title="easyunfold.plotting" href="easyunfold.plotting.html" />
<link rel="next" title="easyunfold.wavecar" href="easyunfold.wavecar.html" />
<link rel="prev" title="easyunfold.utils" href="easyunfold.utils.html" />
<meta name="viewport" content="width=device-width, initial-scale=1"/>
<meta name="docsearch:language" content="en"/>
</head>
Expand Down Expand Up @@ -209,14 +209,14 @@
<li class="toctree-l1 current active has-children"><a class="reference internal" href="../index.html">API Reference</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
<li class="toctree-l2 current active has-children"><a class="reference internal" href="easyunfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold</span></code></a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
<li class="toctree-l3"><a class="reference internal" href="easyunfold.cli.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.cli</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.unfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.utils.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></a></li>
<li class="toctree-l3 current active"><a class="current reference internal" href="#"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.effective_mass</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavecar.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavecar</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavefun.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavefun</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.vasp_constant.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.vasp_constant</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.plotting.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></a></li>
<li class="toctree-l3 current active"><a class="current reference internal" href="#"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.effective_mass</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.procar.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.procar</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.utils.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.unfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.plotting.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavefun.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavefun</span></code></a></li>
</ul>
</details></li>
</ul>
Expand Down Expand Up @@ -704,20 +704,20 @@ <h3>API<a class="headerlink" href="#api" title="Permalink to this heading">#</a>

<div class="prev-next-area">
<a class="left-prev"
href="easyunfold.plotting.html"
href="easyunfold.utils.html"
title="previous page">
<i class="fa-solid fa-angle-left"></i>
<div class="prev-next-info">
<p class="prev-next-subtitle">previous</p>
<p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></p>
<p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></p>
</div>
</a>
<a class="right-next"
href="easyunfold.procar.html"
href="easyunfold.wavecar.html"
title="next page">
<div class="prev-next-info">
<p class="prev-next-subtitle">next</p>
<p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.procar</span></code></p>
<p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavecar</span></code></p>
</div>
<i class="fa-solid fa-angle-right"></i>
</a>
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22 changes: 11 additions & 11 deletions apidocs/easyunfold/easyunfold.html
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Expand Up @@ -209,14 +209,14 @@
<li class="toctree-l1 current active has-children"><a class="reference internal" href="../index.html">API Reference</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
<li class="toctree-l2 current active has-children"><a class="current reference internal" href="#"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold</span></code></a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.cli.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.cli</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.unfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.utils.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.effective_mass.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.effective_mass</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavecar.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavecar</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavefun.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavefun</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.vasp_constant.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.vasp_constant</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.plotting.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.effective_mass.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.effective_mass</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.procar.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.procar</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.utils.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.unfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.plotting.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></a></li>
<li class="toctree-l3"><a class="reference internal" href="easyunfold.wavefun.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavefun</span></code></a></li>
</ul>
</details></li>
</ul>
Expand Down Expand Up @@ -412,14 +412,14 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
<div class="toctree-wrapper compound">
<ul>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.cli.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.cli</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.unfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.utils.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.effective_mass.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.effective_mass</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.wavecar.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavecar</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.wavefun.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavefun</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.vasp_constant.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.vasp_constant</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.plotting.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.effective_mass.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.effective_mass</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.procar.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.procar</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.utils.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.utils</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.unfold.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.unfold</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.plotting.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.plotting</span></code></a></li>
<li class="toctree-l1"><a class="reference internal" href="easyunfold.wavefun.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">easyunfold.wavefun</span></code></a></li>
</ul>
</div>
</section>
Expand All @@ -441,7 +441,7 @@ <h3>API<a class="headerlink" href="#api" title="Permalink to this heading">#</a>
<dl class="py data">
<dt class="sig sig-object py" id="easyunfold.__version__">
<span class="sig-prename descclassname"><span class="pre">easyunfold.</span></span><span class="sig-name descname"><span class="pre">__version__</span></span><a class="headerlink" href="#easyunfold.__version__" title="Permalink to this definition">#</a></dt>
<dd><p>‘0.3.6</p>
<dd><p>‘0.3.7</p>
</dd></dl>

</section>
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