deploy: 63cfdfa

_static/nbsphinx-code-cells.css

@@ -62,12 +62,16 @@ div.nblast.container {
 }
 
 /* input prompt */
-div.nbinput.container div.prompt pre {
+div.nbinput.container div.prompt pre,
+/* for sphinx_immaterial theme: */
+div.nbinput.container div.prompt pre > code {
     color: #307FC1;
 }
 
 /* output prompt */
-div.nboutput.container div.prompt pre {
+div.nboutput.container div.prompt pre,
+/* for sphinx_immaterial theme: */
+div.nboutput.container div.prompt pre > code {
     color: #BF5B3D;
 }
 
@@ -204,8 +208,10 @@ div.nboutput.container div.output_area > div[class^='highlight']{
     overflow-y: hidden;
 }
 
-/* hide copybtn icon on prompts (needed for 'sphinx_copybutton') */
-.prompt .copybtn {
+/* hide copy button on prompts for 'sphinx_copybutton' extension ... */
+.prompt .copybtn,
+/* ... and 'sphinx_immaterial' theme */
+.prompt .md-clipboard.md-icon {
     display: none;
 }
 

genindex.html

@@ -1277,6 +1277,8 @@ <h2 id="M">M</h2>
         <li><a href="wfl.generate.html#module-wfl.generate.normal_modes">wfl.generate.normal_modes</a>
 </li>
         <li><a href="wfl.generate.html#module-wfl.generate.optimize">wfl.generate.optimize</a>
+</li>
+        <li><a href="wfl.generate.html#module-wfl.generate.phonopy">wfl.generate.phonopy</a>
 </li>
         <li><a href="wfl.generate.html#module-wfl.generate.smiles">wfl.generate.smiles</a>
 </li>
@@ -1394,6 +1396,8 @@ <h2 id="P">P</h2>
       <li><a href="wfl.calculators.html#wfl.calculators.vasp.Vasp.per_config_restore">per_config_restore() (wfl.calculators.vasp.Vasp method)</a>
 </li>
       <li><a href="wfl.calculators.html#wfl.calculators.vasp.Vasp.per_config_setup">per_config_setup() (wfl.calculators.vasp.Vasp method)</a>
+</li>
+      <li><a href="wfl.generate.html#wfl.generate.phonopy.phonopy">phonopy() (in module wfl.generate.phonopy)</a>
 </li>
       <li><a href="wfl.calculators.orca.html#wfl.calculators.orca.ORCA.pick_task">pick_task() (wfl.calculators.orca.ORCA method)</a>
 </li>
@@ -1402,11 +1406,11 @@ <h2 id="P">P</h2>
       <li><a href="wfl.select.html#wfl.select.by_descriptor.prep_descs_and_exclude">prep_descs_and_exclude() (in module wfl.select.by_descriptor)</a>
 </li>
       <li><a href="wfl.fit.gap.html#wfl.fit.gap.multistage.prep_params">prep_params() (in module wfl.fit.gap.multistage)</a>
-</li>
-      <li><a href="wfl.generate.html#wfl.generate.atoms_and_dimers.prepare">prepare() (in module wfl.generate.atoms_and_dimers)</a>
 </li>
   </ul></td>
   <td style="width: 33%; vertical-align: top;"><ul>
+      <li><a href="wfl.generate.html#wfl.generate.atoms_and_dimers.prepare">prepare() (in module wfl.generate.atoms_and_dimers)</a>
+</li>
       <li><a href="wfl.fit.html#wfl.fit.ace.prepare_configs">prepare_configs() (in module wfl.fit.ace)</a>
 </li>
       <li><a href="wfl.fit.html#wfl.fit.ace.prepare_params">prepare_params() (in module wfl.fit.ace)</a>
@@ -1943,15 +1947,15 @@ <h2 id="W">W</h2>
         <li><a href="wfl.calculators.orca.html#module-wfl.calculators.orca.basinhopping">module</a>
 </li>
       </ul></li>
-  </ul></td>
-  <td style="width: 33%; vertical-align: top;"><ul>
       <li>
     wfl.calculators.utils
 
       <ul>
         <li><a href="wfl.calculators.html#module-wfl.calculators.utils">module</a>
 </li>
       </ul></li>
+  </ul></td>
+  <td style="width: 33%; vertical-align: top;"><ul>
       <li>
     wfl.calculators.vasp
 
@@ -2216,6 +2220,13 @@ <h2 id="W">W</h2>
 
       <ul>
         <li><a href="wfl.generate.html#module-wfl.generate.optimize">module</a>
+</li>
+      </ul></li>
+      <li>
+    wfl.generate.phonopy
+
+      <ul>
+        <li><a href="wfl.generate.html#module-wfl.generate.phonopy">module</a>
 </li>
       </ul></li>
       <li>

modules.html

@@ -407,7 +407,7 @@ <h1>wfl</h1>
 <li class="toctree-l4"><a class="reference internal" href="wfl.generate.html#module-wfl.generate.minimahopping">wfl.generate.minimahopping module</a></li>
 <li class="toctree-l4"><a class="reference internal" href="wfl.generate.html#module-wfl.generate.normal_modes">wfl.generate.normal_modes module</a></li>
 <li class="toctree-l4"><a class="reference internal" href="wfl.generate.html#module-wfl.generate.optimize">wfl.generate.optimize module</a></li>
-<li class="toctree-l4"><a class="reference internal" href="wfl.generate.html#wfl-generate-phonopy-module">wfl.generate.phonopy module</a></li>
+<li class="toctree-l4"><a class="reference internal" href="wfl.generate.html#module-wfl.generate.phonopy">wfl.generate.phonopy module</a></li>
 <li class="toctree-l4"><a class="reference internal" href="wfl.generate.html#module-wfl.generate.smiles">wfl.generate.smiles module</a></li>
 <li class="toctree-l4"><a class="reference internal" href="wfl.generate.html#module-wfl.generate.supercells">wfl.generate.supercells module</a></li>
 <li class="toctree-l4"><a class="reference internal" href="wfl.generate.html#module-wfl.generate.utils">wfl.generate.utils module</a></li>

py-modindex.html

@@ -591,6 +591,11 @@ <h1>Python Module Index</h1>
        <td>&#160;&#160;&#160;
        <a href="wfl.generate.html#module-wfl.generate.optimize"><code class="xref">wfl.generate.optimize</code></a></td><td>
        <em></em></td></tr>
+     <tr class="cg-1">
+       <td></td>
+       <td>&#160;&#160;&#160;
+       <a href="wfl.generate.html#module-wfl.generate.phonopy"><code class="xref">wfl.generate.phonopy</code></a></td><td>
+       <em></em></td></tr>
      <tr class="cg-1">
        <td></td>
        <td>&#160;&#160;&#160;