Skip to content

Commit

Permalink
Documentation build
Browse files Browse the repository at this point in the history
  • Loading branch information
@SEBeutick @github-actions
SEBeutick authored and github-actions[bot] committed Feb 8, 2024
1 parent 710a1cf commit a0fe942
Show file tree
Hide file tree
Showing 8 changed files with 30 additions and 3 deletions.
Binary file modified docs/_build/doctrees/api/tcutility.job.doctree
View file
Binary file not shown.
Binary file modified docs/_build/doctrees/environment.pickle
View file
Binary file not shown.
12 changes: 12 additions & 0 deletions docs/_build/html/_modules/tcutility/job/adf.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -512,6 +512,18 @@ <h1>Source code for tcutility.job.adf</h1><div class="highlight"><pre>
<span class="s1">&#39;I&#39;</span><span class="p">:</span> <span class="mf">2.32</span>
<span class="p">}</span>
<span class="bp">self</span><span class="o">.</span><span class="n">settings</span><span class="o">.</span><span class="n">input</span><span class="o">.</span><span class="n">adf</span><span class="o">.</span><span class="n">solvation</span><span class="o">.</span><span class="n">radii</span> <span class="o">=</span> <span class="n">radii</span></div>


<div class="viewcode-block" id="ADFJob.symmetry">
<a class="viewcode-back" href="../../../api/tcutility.job.html#tcutility.job.adf.ADFJob.symmetry">[docs]</a>
<span class="k">def</span> <span class="nf">symmetry</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">group</span><span class="p">:</span> <span class="nb">str</span><span class="p">):</span>
<span class="w"> </span><span class="sd">&#39;&#39;&#39;</span>
<span class="sd"> Specify the symmetry group to be used by ADF.</span>

<span class="sd"> Args:</span>
<span class="sd"> group: the symmetry group to be used.</span>
<span class="sd"> &#39;&#39;&#39;</span>
<span class="bp">self</span><span class="o">.</span><span class="n">settings</span><span class="o">.</span><span class="n">input</span><span class="o">.</span><span class="n">adf</span><span class="o">.</span><span class="n">Symmetry</span> <span class="o">=</span> <span class="n">group</span></div>
</div>


Expand Down
1 change: 1 addition & 0 deletions docs/_build/html/api/tcutility.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -358,6 +358,7 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
<li class="toctree-l4"><a class="reference internal" href="tcutility.job.html#tcutility.job.adf.ADFJob.functional"><code class="docutils literal notranslate"><span class="pre">ADFJob.functional()</span></code></a></li>
<li class="toctree-l4"><a class="reference internal" href="tcutility.job.html#tcutility.job.adf.ADFJob.relativity"><code class="docutils literal notranslate"><span class="pre">ADFJob.relativity()</span></code></a></li>
<li class="toctree-l4"><a class="reference internal" href="tcutility.job.html#tcutility.job.adf.ADFJob.solvent"><code class="docutils literal notranslate"><span class="pre">ADFJob.solvent()</span></code></a></li>
<li class="toctree-l4"><a class="reference internal" href="tcutility.job.html#tcutility.job.adf.ADFJob.symmetry"><code class="docutils literal notranslate"><span class="pre">ADFJob.symmetry()</span></code></a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="tcutility.job.html#tcutility.job.adf.ADFFragmentJob"><code class="docutils literal notranslate"><span class="pre">ADFFragmentJob</span></code></a><ul>
Expand Down
12 changes: 12 additions & 0 deletions docs/_build/html/api/tcutility.job.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -466,6 +466,17 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
</div>
</dd></dl>

<dl class="py method">
<dt class="sig sig-object py" id="tcutility.job.adf.ADFJob.symmetry">
<span class="sig-name descname"><span class="pre">symmetry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">group</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/tcutility/job/adf.html#ADFJob.symmetry"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#tcutility.job.adf.ADFJob.symmetry" title="Link to this definition">#</a></dt>
<dd><p>Specify the symmetry group to be used by ADF.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>group</strong> – the symmetry group to be used.</p>
</dd>
</dl>
</dd></dl>

</dd></dl>

<dl class="py class">
Expand Down Expand Up @@ -1073,6 +1084,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#tcutility.job.adf.ADFJob.functional"><code class="docutils literal notranslate"><span class="pre">ADFJob.functional()</span></code></a></li>
<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#tcutility.job.adf.ADFJob.relativity"><code class="docutils literal notranslate"><span class="pre">ADFJob.relativity()</span></code></a></li>
<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#tcutility.job.adf.ADFJob.solvent"><code class="docutils literal notranslate"><span class="pre">ADFJob.solvent()</span></code></a></li>
<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#tcutility.job.adf.ADFJob.symmetry"><code class="docutils literal notranslate"><span class="pre">ADFJob.symmetry()</span></code></a></li>
</ul>
</li>
<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#tcutility.job.adf.ADFFragmentJob"><code class="docutils literal notranslate"><span class="pre">ADFFragmentJob</span></code></a><ul class="nav section-nav flex-column">
Expand Down
6 changes: 4 additions & 2 deletions docs/_build/html/genindex.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -895,10 +895,10 @@ <h2 id="S">S</h2>
<li><a href="api/tcutility.job.html#tcutility.job.orca.ORCAJob.single_point">(ORCAJob method)</a>
</li>
</ul></li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="api/tcutility.html#tcutility.log.Emojis.sleep">sleep (Emojis attribute)</a>
</li>
</ul></td>
<td style="width: 33%; vertical-align: top;"><ul>
<li><a href="api/tcutility.job.html#tcutility.job.adf.ADFJob.solvent">solvent() (ADFJob method)</a>

<ul>
Expand All @@ -922,6 +922,8 @@ <h2 id="S">S</h2>
<li><a href="api/tcutility.html#tcutility.slurm.squeue">squeue() (in module tcutility.slurm)</a>
</li>
<li><a href="api/tcutility.results.html#tcutility.results.cache.store">store() (in module tcutility.results.cache)</a>
</li>
<li><a href="api/tcutility.job.html#tcutility.job.adf.ADFJob.symmetry">symmetry() (ADFJob method)</a>
</li>
</ul></td>
</tr></table>
Expand Down
Binary file modified docs/_build/html/objects.inv
View file
Binary file not shown.
2 changes: 1 addition & 1 deletion docs/_build/html/searchindex.js
View file

Large diffs are not rendered by default.

0 comments on commit a0fe942

Please sign in to comment.