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Update dev docs
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shyuep committed Mar 10, 2023
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2 changes: 1 addition & 1 deletion custodian/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,6 @@
"""

__author__ = "Shyue Ping Ong, William Davidson Richards, Stephen Dacek, Xiaohui Qu, Matthew Horton, Samuel M. Blau"
__version__ = "2022.5.26"
__version__ = "2023.3.10"

from .custodian import Custodian
11 changes: 5 additions & 6 deletions docs/_modules/custodian/ansible/actions.html
Original file line number Diff line number Diff line change
@@ -1,17 +1,16 @@

<!DOCTYPE html>

<html>
<html lang="en">
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>custodian.ansible.actions &#8212; custodian 2022.5.26 documentation</title>
<title>custodian.ansible.actions &#8212; custodian 2023.3.10 documentation</title>
<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css" />
<link rel="stylesheet" type="text/css" href="../../../_static/flasky.css" />
<script data-url_root="../../../" id="documentation_options" src="../../../_static/documentation_options.js"></script>
<script src="../../../_static/jquery.js"></script>
<script src="../../../_static/underscore.js"></script>
<script src="../../../_static/doctools.js"></script>
<script src="../../../_static/sphinx_highlight.js"></script>
<link rel="index" title="Index" href="../../../genindex.html" />
<link rel="search" title="Search" href="../../../search.html" />

Expand All @@ -36,7 +35,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="../../../py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2022.5.26 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2023.3.10 documentation</a> &#187;</li>
<li class="nav-item nav-item-1"><a href="../../index.html" accesskey="U">Module code</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">custodian.ansible.actions</a></li>
</ul>
Expand Down Expand Up @@ -363,7 +362,7 @@ <h3 id="searchlabel">Quick search</h3>
</form>
</div>
</div>
<script>$('#searchbox').show(0);</script>
<script>document.getElementById('searchbox').style.display = "block"</script>
</div>
</div>
<div class="clearer"></div>
Expand Down
13 changes: 6 additions & 7 deletions docs/_modules/custodian/ansible/interpreter.html
Original file line number Diff line number Diff line change
@@ -1,17 +1,16 @@

<!DOCTYPE html>

<html>
<html lang="en">
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>custodian.ansible.interpreter &#8212; custodian 2022.5.26 documentation</title>
<title>custodian.ansible.interpreter &#8212; custodian 2023.3.10 documentation</title>
<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css" />
<link rel="stylesheet" type="text/css" href="../../../_static/flasky.css" />
<script data-url_root="../../../" id="documentation_options" src="../../../_static/documentation_options.js"></script>
<script src="../../../_static/jquery.js"></script>
<script src="../../../_static/underscore.js"></script>
<script src="../../../_static/doctools.js"></script>
<script src="../../../_static/sphinx_highlight.js"></script>
<link rel="index" title="Index" href="../../../genindex.html" />
<link rel="search" title="Search" href="../../../search.html" />

Expand All @@ -36,7 +35,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="../../../py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2022.5.26 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2023.3.10 documentation</a> &#187;</li>
<li class="nav-item nav-item-1"><a href="../../index.html" accesskey="U">Module code</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">custodian.ansible.interpreter</a></li>
</ul>
Expand Down Expand Up @@ -116,7 +115,7 @@ <h1>Source code for custodian.ansible.interpreter</h1><div class="highlight"><pr
<span class="sd"> &quot;&quot;&quot;</span>
<span class="k">for</span> <span class="n">action</span><span class="p">,</span> <span class="n">settings</span> <span class="ow">in</span> <span class="n">modification</span><span class="o">.</span><span class="n">items</span><span class="p">():</span>
<span class="k">if</span> <span class="n">action</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">supported_actions</span><span class="p">:</span>
<span class="bp">self</span><span class="o">.</span><span class="n">supported_actions</span><span class="p">[</span><span class="n">action</span><span class="p">]</span><span class="o">.</span><span class="fm">__call__</span><span class="p">(</span><span class="n">obj</span><span class="p">,</span> <span class="n">settings</span><span class="p">)</span>
<span class="bp">self</span><span class="o">.</span><span class="n">supported_actions</span><span class="p">[</span><span class="n">action</span><span class="p">](</span><span class="n">obj</span><span class="p">,</span> <span class="n">settings</span><span class="p">)</span>
<span class="k">elif</span> <span class="bp">self</span><span class="o">.</span><span class="n">strict</span><span class="p">:</span>
<span class="k">raise</span> <span class="ne">ValueError</span><span class="p">(</span><span class="sa">f</span><span class="s2">&quot;</span><span class="si">{</span><span class="n">action</span><span class="si">}</span><span class="s2"> is not a supported action!&quot;</span><span class="p">)</span></div>

Expand Down Expand Up @@ -161,7 +160,7 @@ <h3 id="searchlabel">Quick search</h3>
</form>
</div>
</div>
<script>$('#searchbox').show(0);</script>
<script>document.getElementById('searchbox').style.display = "block"</script>
</div>
</div>
<div class="clearer"></div>
Expand Down
13 changes: 5 additions & 8 deletions docs/_modules/custodian/cli/converge_geometry.html
Original file line number Diff line number Diff line change
@@ -1,17 +1,16 @@

<!DOCTYPE html>

<html>
<html lang="en">
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>custodian.cli.converge_geometry &#8212; custodian 2022.5.26 documentation</title>
<title>custodian.cli.converge_geometry &#8212; custodian 2023.3.10 documentation</title>
<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css" />
<link rel="stylesheet" type="text/css" href="../../../_static/flasky.css" />
<script data-url_root="../../../" id="documentation_options" src="../../../_static/documentation_options.js"></script>
<script src="../../../_static/jquery.js"></script>
<script src="../../../_static/underscore.js"></script>
<script src="../../../_static/doctools.js"></script>
<script src="../../../_static/sphinx_highlight.js"></script>
<link rel="index" title="Index" href="../../../genindex.html" />
<link rel="search" title="Search" href="../../../search.html" />

Expand All @@ -36,7 +35,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="../../../py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2022.5.26 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2023.3.10 documentation</a> &#187;</li>
<li class="nav-item nav-item-1"><a href="../../index.html" accesskey="U">Module code</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">custodian.cli.converge_geometry</a></li>
</ul>
Expand Down Expand Up @@ -81,7 +80,6 @@ <h1>Source code for custodian.cli.converge_geometry</h1><div class="highlight"><
<span class="n">job_number</span> <span class="o">=</span> <span class="mi">0</span>

<span class="k">while</span> <span class="p">(</span><span class="ow">not</span> <span class="n">converged</span><span class="p">)</span> <span class="ow">and</span> <span class="p">(</span><span class="n">job_number</span> <span class="o">&lt;</span> <span class="n">args</span><span class="o">.</span><span class="n">max_relax</span><span class="p">):</span>

<span class="n">suffix</span> <span class="o">=</span> <span class="sa">f</span><span class="s2">&quot;.relax</span><span class="si">{</span><span class="n">job_number</span> <span class="o">+</span> <span class="mi">1</span><span class="si">}</span><span class="s2">&quot;</span>

<span class="k">if</span> <span class="n">job_number</span> <span class="o">==</span> <span class="mi">0</span><span class="p">:</span>
Expand All @@ -98,7 +96,6 @@ <h1>Source code for custodian.cli.converge_geometry</h1><div class="highlight"><
<span class="n">converged</span> <span class="o">=</span> <span class="kc">True</span>

<span class="k">if</span> <span class="n">job_number</span> <span class="o">&lt;</span> <span class="mi">2</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">converged</span><span class="p">:</span>

<span class="n">settings</span> <span class="o">=</span> <span class="p">[</span>
<span class="p">{</span><span class="s2">&quot;dict&quot;</span><span class="p">:</span> <span class="s2">&quot;INCAR&quot;</span><span class="p">,</span> <span class="s2">&quot;action&quot;</span><span class="p">:</span> <span class="p">{</span><span class="s2">&quot;_set&quot;</span><span class="p">:</span> <span class="p">{</span><span class="s2">&quot;ISTART&quot;</span><span class="p">:</span> <span class="mi">1</span><span class="p">}}},</span>
<span class="p">{</span><span class="s2">&quot;file&quot;</span><span class="p">:</span> <span class="s2">&quot;CONTCAR&quot;</span><span class="p">,</span> <span class="s2">&quot;action&quot;</span><span class="p">:</span> <span class="p">{</span><span class="s2">&quot;_file_copy&quot;</span><span class="p">:</span> <span class="p">{</span><span class="s2">&quot;dest&quot;</span><span class="p">:</span> <span class="s2">&quot;POSCAR&quot;</span><span class="p">}}},</span>
Expand Down Expand Up @@ -205,7 +202,7 @@ <h3 id="searchlabel">Quick search</h3>
</form>
</div>
</div>
<script>$('#searchbox').show(0);</script>
<script>document.getElementById('searchbox').style.display = "block"</script>
</div>
</div>
<div class="clearer"></div>
Expand Down
11 changes: 5 additions & 6 deletions docs/_modules/custodian/cli/converge_kpoints.html
Original file line number Diff line number Diff line change
@@ -1,17 +1,16 @@

<!DOCTYPE html>

<html>
<html lang="en">
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>custodian.cli.converge_kpoints &#8212; custodian 2022.5.26 documentation</title>
<title>custodian.cli.converge_kpoints &#8212; custodian 2023.3.10 documentation</title>
<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css" />
<link rel="stylesheet" type="text/css" href="../../../_static/flasky.css" />
<script data-url_root="../../../" id="documentation_options" src="../../../_static/documentation_options.js"></script>
<script src="../../../_static/jquery.js"></script>
<script src="../../../_static/underscore.js"></script>
<script src="../../../_static/doctools.js"></script>
<script src="../../../_static/sphinx_highlight.js"></script>
<link rel="index" title="Index" href="../../../genindex.html" />
<link rel="search" title="Search" href="../../../search.html" />

Expand All @@ -36,7 +35,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="../../../py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2022.5.26 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2023.3.10 documentation</a> &#187;</li>
<li class="nav-item nav-item-1"><a href="../../index.html" accesskey="U">Module code</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">custodian.cli.converge_kpoints</a></li>
</ul>
Expand Down Expand Up @@ -224,7 +223,7 @@ <h3 id="searchlabel">Quick search</h3>
</form>
</div>
</div>
<script>$('#searchbox').show(0);</script>
<script>document.getElementById('searchbox').style.display = "block"</script>
</div>
</div>
<div class="clearer"></div>
Expand Down
11 changes: 5 additions & 6 deletions docs/_modules/custodian/cli/cstdn.html
Original file line number Diff line number Diff line change
@@ -1,17 +1,16 @@

<!DOCTYPE html>

<html>
<html lang="en">
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>custodian.cli.cstdn &#8212; custodian 2022.5.26 documentation</title>
<title>custodian.cli.cstdn &#8212; custodian 2023.3.10 documentation</title>
<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css" />
<link rel="stylesheet" type="text/css" href="../../../_static/flasky.css" />
<script data-url_root="../../../" id="documentation_options" src="../../../_static/documentation_options.js"></script>
<script src="../../../_static/jquery.js"></script>
<script src="../../../_static/underscore.js"></script>
<script src="../../../_static/doctools.js"></script>
<script src="../../../_static/sphinx_highlight.js"></script>
<link rel="index" title="Index" href="../../../genindex.html" />
<link rel="search" title="Search" href="../../../search.html" />

Expand All @@ -36,7 +35,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="../../../py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2022.5.26 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2023.3.10 documentation</a> &#187;</li>
<li class="nav-item nav-item-1"><a href="../../index.html" accesskey="U">Module code</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">custodian.cli.cstdn</a></li>
</ul>
Expand Down Expand Up @@ -203,7 +202,7 @@ <h3 id="searchlabel">Quick search</h3>
</form>
</div>
</div>
<script>$('#searchbox').show(0);</script>
<script>document.getElementById('searchbox').style.display = "block"</script>
</div>
</div>
<div class="clearer"></div>
Expand Down
11 changes: 5 additions & 6 deletions docs/_modules/custodian/cli/run_nwchem.html
Original file line number Diff line number Diff line change
@@ -1,17 +1,16 @@

<!DOCTYPE html>

<html>
<html lang="en">
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>custodian.cli.run_nwchem &#8212; custodian 2022.5.26 documentation</title>
<title>custodian.cli.run_nwchem &#8212; custodian 2023.3.10 documentation</title>
<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css" />
<link rel="stylesheet" type="text/css" href="../../../_static/flasky.css" />
<script data-url_root="../../../" id="documentation_options" src="../../../_static/documentation_options.js"></script>
<script src="../../../_static/jquery.js"></script>
<script src="../../../_static/underscore.js"></script>
<script src="../../../_static/doctools.js"></script>
<script src="../../../_static/sphinx_highlight.js"></script>
<link rel="index" title="Index" href="../../../genindex.html" />
<link rel="search" title="Search" href="../../../search.html" />

Expand All @@ -36,7 +35,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="../../../py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2022.5.26 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2023.3.10 documentation</a> &#187;</li>
<li class="nav-item nav-item-1"><a href="../../index.html" accesskey="U">Module code</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">custodian.cli.run_nwchem</a></li>
</ul>
Expand Down Expand Up @@ -176,7 +175,7 @@ <h3 id="searchlabel">Quick search</h3>
</form>
</div>
</div>
<script>$('#searchbox').show(0);</script>
<script>document.getElementById('searchbox').style.display = "block"</script>
</div>
</div>
<div class="clearer"></div>
Expand Down
11 changes: 5 additions & 6 deletions docs/_modules/custodian/cli/run_vasp.html
Original file line number Diff line number Diff line change
@@ -1,17 +1,16 @@

<!DOCTYPE html>

<html>
<html lang="en">
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>custodian.cli.run_vasp &#8212; custodian 2022.5.26 documentation</title>
<title>custodian.cli.run_vasp &#8212; custodian 2023.3.10 documentation</title>
<link rel="stylesheet" type="text/css" href="../../../_static/pygments.css" />
<link rel="stylesheet" type="text/css" href="../../../_static/flasky.css" />
<script data-url_root="../../../" id="documentation_options" src="../../../_static/documentation_options.js"></script>
<script src="../../../_static/jquery.js"></script>
<script src="../../../_static/underscore.js"></script>
<script src="../../../_static/doctools.js"></script>
<script src="../../../_static/sphinx_highlight.js"></script>
<link rel="index" title="Index" href="../../../genindex.html" />
<link rel="search" title="Search" href="../../../search.html" />

Expand All @@ -36,7 +35,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="../../../py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2022.5.26 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="../../../index.html">custodian 2023.3.10 documentation</a> &#187;</li>
<li class="nav-item nav-item-1"><a href="../../index.html" accesskey="U">Module code</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">custodian.cli.run_vasp</a></li>
</ul>
Expand Down Expand Up @@ -436,7 +435,7 @@ <h3 id="searchlabel">Quick search</h3>
</form>
</div>
</div>
<script>$('#searchbox').show(0);</script>
<script>document.getElementById('searchbox').style.display = "block"</script>
</div>
</div>
<div class="clearer"></div>
Expand Down
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