Update docs

docs/change_log.html

@@ -396,6 +396,7 @@ <h2>v2022.2.1<a class="headerlink" href="#v2022-2-1" title="Permalink to this he
 <li><p><cite>Entry.__repr__()</cite> now ouputs name where available. (&#64;janosh)</p></li>
 <li><p>Fixes to Vasprun.final_energy to report <cite>e_0_energy</cite> (the desired energy quantity) for VASP 6+. (&#64;arosen93)</p></li>
 <li><p><cite>Outcar().final_energy</cite> now prints out <cite>e_0_energy</cite> (also called “energy(sigma-&gt;0)” in the OUTCAR) rather than <cite>energy_fr_energy</cite> (also called “free  energy   TOTEN” in the OUTCAR). This is to be consistent with <cite>Vasprun().final_energy</cite> and because it is generally the desired quantity. <cite>Outcar</cite> now has two new attributes: <cite>.final_energy_wo_entrp</cite> and <cite>final_fr_energy</cite>, which correspond to <cite>e_wo_entrp</cite> and <cite>e_fr_energy</cite>, respectively. (&#64;arosen93)</p></li>
+<li><p>Improved parsing of coupled cluster calculations in QChem (&#64;espottesmith).</p></li>
 </ul>
 </section>
 <section id="v2022-1-24">

docs/index.html

@@ -219,6 +219,7 @@ <h3>v2022.2.1<a class="headerlink" href="#v2022-2-1" title="Permalink to this he
 <li><p><cite>Entry.__repr__()</cite> now ouputs name where available. (&#64;janosh)</p></li>
 <li><p>Fixes to Vasprun.final_energy to report <cite>e_0_energy</cite> (the desired energy quantity) for VASP 6+. (&#64;arosen93)</p></li>
 <li><p><cite>Outcar().final_energy</cite> now prints out <cite>e_0_energy</cite> (also called “energy(sigma-&gt;0)” in the OUTCAR) rather than <cite>energy_fr_energy</cite> (also called “free  energy   TOTEN” in the OUTCAR). This is to be consistent with <cite>Vasprun().final_energy</cite> and because it is generally the desired quantity. <cite>Outcar</cite> now has two new attributes: <cite>.final_energy_wo_entrp</cite> and <cite>final_fr_energy</cite>, which correspond to <cite>e_wo_entrp</cite> and <cite>e_fr_energy</cite>, respectively. (&#64;arosen93)</p></li>
+<li><p>Improved parsing of coupled cluster calculations in QChem (&#64;espottesmith).</p></li>
 </ul>
 <p><a class="reference internal" href="change_log.html"><span class="doc">Older versions</span></a></p>
 </section>

docs/introduction.html

@@ -239,6 +239,7 @@ <h3>v2022.2.1<a class="headerlink" href="#v2022-2-1" title="Permalink to this he
 <li><p><cite>Entry.__repr__()</cite> now ouputs name where available. (&#64;janosh)</p></li>
 <li><p>Fixes to Vasprun.final_energy to report <cite>e_0_energy</cite> (the desired energy quantity) for VASP 6+. (&#64;arosen93)</p></li>
 <li><p><cite>Outcar().final_energy</cite> now prints out <cite>e_0_energy</cite> (also called “energy(sigma-&gt;0)” in the OUTCAR) rather than <cite>energy_fr_energy</cite> (also called “free  energy   TOTEN” in the OUTCAR). This is to be consistent with <cite>Vasprun().final_energy</cite> and because it is generally the desired quantity. <cite>Outcar</cite> now has two new attributes: <cite>.final_energy_wo_entrp</cite> and <cite>final_fr_energy</cite>, which correspond to <cite>e_wo_entrp</cite> and <cite>e_fr_energy</cite>, respectively. (&#64;arosen93)</p></li>
+<li><p>Improved parsing of coupled cluster calculations in QChem (&#64;espottesmith).</p></li>
 </ul>
 <p><a class="reference internal" href="change_log.html"><span class="doc">Older versions</span></a></p>
 </section>

docs/latest_changes.html

@@ -97,6 +97,7 @@ <h2>v2022.2.1<a class="headerlink" href="#v2022-2-1" title="Permalink to this he
 <li><p><cite>Entry.__repr__()</cite> now ouputs name where available. (&#64;janosh)</p></li>
 <li><p>Fixes to Vasprun.final_energy to report <cite>e_0_energy</cite> (the desired energy quantity) for VASP 6+. (&#64;arosen93)</p></li>
 <li><p><cite>Outcar().final_energy</cite> now prints out <cite>e_0_energy</cite> (also called “energy(sigma-&gt;0)” in the OUTCAR) rather than <cite>energy_fr_energy</cite> (also called “free  energy   TOTEN” in the OUTCAR). This is to be consistent with <cite>Vasprun().final_energy</cite> and because it is generally the desired quantity. <cite>Outcar</cite> now has two new attributes: <cite>.final_energy_wo_entrp</cite> and <cite>final_fr_energy</cite>, which correspond to <cite>e_wo_entrp</cite> and <cite>e_fr_energy</cite>, respectively. (&#64;arosen93)</p></li>
+<li><p>Improved parsing of coupled cluster calculations in QChem (&#64;espottesmith).</p></li>
 </ul>
 </section>
 </section>

docs/pymatgen.io.vasp.outputs.html

@@ -1496,7 +1496,7 @@
 
 <dl class="py method">
 <dt class="sig sig-object py" id="pymatgen.io.vasp.outputs.Vasprun.get_computed_entry">
-<span class="sig-name descname"><span class="pre">get_computed_entry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">inc_structure</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">parameters</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">data</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">entry_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'vasprun-2022-02-01</span> <span class="pre">12:59:33.588521'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2022.2.1/pymatgen/core/../io/vasp/outputs.py#L767-L807"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.io.vasp.outputs.Vasprun.get_computed_entry" title="Permalink to this definition"></a></dt>
+<span class="sig-name descname"><span class="pre">get_computed_entry</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">inc_structure</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">parameters</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">data</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">entry_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'vasprun-2022-02-01</span> <span class="pre">13:02:11.951141'</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2022.2.1/pymatgen/core/../io/vasp/outputs.py#L767-L807"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.io.vasp.outputs.Vasprun.get_computed_entry" title="Permalink to this definition"></a></dt>
 <dd><p>Returns a ComputedEntry or ComputedStructureEntry from the vasprun.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters</dt>