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obackhouse committed Apr 12, 2024
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# Sphinx build info version 1
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
config: 50444e440136be474f1842b4710725eb
config: 55ab9dd0aee58c8003d241e18fd93025
tags: 645f666f9bcd5a90fca523b33c5a78b7
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.. toctree::
:maxdepth: 2
:caption: Contents:

api/modules
9 changes: 2 additions & 7 deletions _sources/index.rst.txt
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.. momentGW documentation master file, created by
sphinx-quickstart on Fri Apr 12 20:42:32 2024.
You can adapt this file completely to your liking, but it should at least
contain the root `toctree` directive.
Welcome to momentGW's documentation!
====================================

.. toctree::
:maxdepth: 2
:caption: Contents:

readme
api/modules
.. mdinclude::
../README.md


Indices and tables
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<section id="api-documentation">
<h1>API Documentation<a class="headerlink" href="#api-documentation" title="Link to this heading"></a></h1>
<div class="toctree-wrapper compound">
<p class="caption" role="heading"><span class="caption-text">Contents:</span></p>
<ul>
<li class="toctree-l1"><a class="reference internal" href="api/modules.html">momentGW</a><ul>
<li class="toctree-l2"><a class="reference internal" href="api/momentGW.html">momentGW package</a></li>
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<h1>Welcome to momentGW’s documentation!<a class="headerlink" href="#welcome-to-momentgw-s-documentation" title="Link to this heading"></a></h1>
<div class="toctree-wrapper compound">
</div>
<section id="momentgw">
<h2>momentGW<a class="headerlink" href="#momentgw" title="Link to this heading"></a></h2>
<p>Implementations of the <em>GW</em> approximation and associated methods, using moment-conserving solutions to the Dyson equation.</p>
<p>This repository contains the implementation and data for the <a class="reference external" href="https://doi.org/10.1063/5.0143291">paper</a> <em>“A ‘moment-conserving’ reformulation of GW theory”</em>.</p>
<section id="installation">
<h3>Installation<a class="headerlink" href="#installation" title="Link to this heading"></a></h3>
<p>The <code class="docutils literal notranslate"><span class="pre">momentGW</span></code> package, along with dependencies, can be installed as</p>
<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">git</span> <span class="n">clone</span> <span class="n">git</span><span class="nd">@github</span><span class="o">.</span><span class="n">com</span><span class="p">:</span><span class="n">BoothGroup</span><span class="o">/</span><span class="n">momentGW</span><span class="o">.</span><span class="n">git</span>
<span class="n">cd</span> <span class="n">momentGW</span>
<span class="n">python</span> <span class="o">-</span><span class="n">m</span> <span class="n">pip</span> <span class="n">install</span> <span class="o">.</span> <span class="o">--</span><span class="n">user</span>
</pre></div>
</div>
</section>
<section id="usage">
<h3>Usage<a class="headerlink" href="#usage" title="Link to this heading"></a></h3>
<p>The <code class="docutils literal notranslate"><span class="pre">momentGW</span></code> classes behave similarly to other post-mean-field method classes in PySCF. The <code class="docutils literal notranslate"><span class="pre">examples</span></code> directory contains examples for each solver.</p>
</section>
</section>
</section>
<section id="indices-and-tables">
<h1>Indices and tables<a class="headerlink" href="#indices-and-tables" title="Link to this heading"></a></h1>
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