libcasm-configuration 2.0a6

prisms-center · Dec 11, 2024 · af01d4a · af01d4a
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diff --git a/docs/libcasm/configuration/2.0/.buildinfo b/docs/libcasm/configuration/2.0/.buildinfo
@@ -1,4 +1,4 @@
 # 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: 4a540322c4f7828ade8c9f1d4debb6d9
+config: 6a1421d2a020b9c63ae5e1634e1156d5
 tags: 645f666f9bcd5a90fca523b33c5a78b7
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diff --git a/...e/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.coordinate.doctree b/...e/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.coordinate.doctree
diff --git a/...ference/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.copy.doctree b/...ference/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.copy.doctree
diff --git a/...es/reference/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.doctree b/...es/reference/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.doctree
diff --git a/.../libcasm.local_configuration.OccEventPrimSymInfo.equivalent_generating_op_indices.doctree b/.../libcasm.local_configuration.OccEventPrimSymInfo.equivalent_generating_op_indices.doctree
diff --git a/...summary/libcasm.local_configuration.OccEventPrimSymInfo.equivalent_generating_ops.doctree b/...summary/libcasm.local_configuration.OccEventPrimSymInfo.equivalent_generating_ops.doctree
diff --git a/...y/libcasm.local_configuration.OccEventPrimSymInfo.equivalent_generating_site_reps.doctree b/...y/libcasm.local_configuration.OccEventPrimSymInfo.equivalent_generating_site_reps.doctree
diff --git a/...rence/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.events.doctree b/...rence/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.events.doctree
diff --git a/...ce/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.from_data.doctree b/...ce/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.from_data.doctree
diff --git a/...asm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.invariant_groups.doctree b/...asm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.invariant_groups.doctree
diff --git a/...cal_configuration.OccEventPrimSymInfo.make_local_neighborhoods_from_cluster_specs.doctree b/...cal_configuration.OccEventPrimSymInfo.make_local_neighborhoods_from_cluster_specs.doctree
diff --git a/...sm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.make_local_orbits.doctree b/...sm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.make_local_orbits.doctree
diff --git a/...casm.local_configuration.OccEventPrimSymInfo.make_local_orbits_from_cluster_specs.doctree b/...casm.local_configuration.OccEventPrimSymInfo.make_local_orbits_from_cluster_specs.doctree
diff --git a/...autosummary/libcasm.local_configuration.OccEventPrimSymInfo.occevent_symgroup_rep.doctree b/...autosummary/libcasm.local_configuration.OccEventPrimSymInfo.occevent_symgroup_rep.doctree
diff --git a/.../_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.phenomenal_clusters.doctree b/.../_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.phenomenal_clusters.doctree
diff --git a/...ference/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.prim.doctree b/...ference/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.prim.doctree
diff --git a/...casm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.prototype_event.doctree b/...casm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.prototype_event.doctree
diff --git a/...summary/libcasm.local_configuration.OccEventPrimSymInfo.prototype_invariant_group.doctree b/...summary/libcasm.local_configuration.OccEventPrimSymInfo.prototype_invariant_group.doctree
diff --git a/...rence/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.system.doctree b/...rence/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.system.doctree
diff --git a/...ence/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.to_data.doctree b/...ence/libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.to_data.doctree
diff --git a/...libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.translations.doctree b/...libcasm/_autosummary/libcasm.local_configuration.OccEventPrimSymInfo.translations.doctree
diff --git a/...m/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.canonical_pos.doctree b/...m/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.canonical_pos.doctree
diff --git a/...casm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.coordinate.doctree b/...casm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.coordinate.doctree
diff --git a/...y/libcasm.local_configuration.OccEventSupercellSymInfo.copy_apply_supercell_symop.doctree b/...y/libcasm.local_configuration.OccEventSupercellSymInfo.copy_apply_supercell_symop.doctree
diff --git a/...ference/libcasm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.doctree b/...ference/libcasm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.doctree
diff --git a/...m.local_configuration.OccEventSupercellSymInfo.equivalent_index_to_suborbit_index.doctree b/...m.local_configuration.OccEventSupercellSymInfo.equivalent_index_to_suborbit_index.doctree
diff --git a/...e/libcasm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.event.doctree b/...e/libcasm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.event.doctree
diff --git a/..._autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.event_group_rep.doctree b/..._autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.event_group_rep.doctree
diff --git a/..._autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.event_prim_info.doctree b/..._autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.event_prim_info.doctree
diff --git a/...m.local_configuration.OccEventSupercellSymInfo.make_canonical_local_configuration.doctree b/...m.local_configuration.OccEventSupercellSymInfo.make_canonical_local_configuration.doctree
diff --git a/...asm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.n_suborbits.doctree b/...asm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.n_suborbits.doctree
diff --git a/...mary/libcasm.local_configuration.OccEventSupercellSymInfo.standardized_and_within.doctree b/...mary/libcasm.local_configuration.OccEventSupercellSymInfo.standardized_and_within.doctree
diff --git a/...m.local_configuration.OccEventSupercellSymInfo.suborbit_index_to_equivalent_index.doctree b/...m.local_configuration.OccEventSupercellSymInfo.suborbit_index_to_equivalent_index.doctree
diff --git a/...tosummary/libcasm.local_configuration.OccEventSupercellSymInfo.suborbit_prototype.doctree b/...tosummary/libcasm.local_configuration.OccEventSupercellSymInfo.suborbit_prototype.doctree
diff --git a/....local_configuration.OccEventSupercellSymInfo.suborbit_prototype_equivalent_index.doctree b/....local_configuration.OccEventSupercellSymInfo.suborbit_prototype_equivalent_index.doctree
diff --git a/...bcasm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.suborbits.doctree b/...bcasm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.suborbits.doctree
diff --git a/...bcasm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.supercell.doctree b/...bcasm/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.supercell.doctree
diff --git a/...m/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.supercell_rep.doctree b/...m/_autosummary/libcasm.local_configuration.OccEventSupercellSymInfo.supercell_rep.doctree
diff --git a/...s/reference/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.copy.doctree b/...s/reference/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.copy.doctree
diff --git a/...ctrees/reference/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.doctree b/...ctrees/reference/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.doctree
diff --git a/.../libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.event_prim_info.doctree b/.../libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.event_prim_info.doctree
diff --git a/...erence/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.from_data.doctree b/...erence/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.from_data.doctree
diff --git a/..._autosummary/libcasm.local_configuration.OccEventSymInfo.get_event_supercell_info.doctree b/..._autosummary/libcasm.local_configuration.OccEventSymInfo.get_event_supercell_info.doctree
diff --git a/...s/reference/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.init.doctree b/...s/reference/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.init.doctree
diff --git a/...eference/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.to_data.doctree b/...eference/libcasm/_autosummary/libcasm.local_configuration.OccEventSymInfo.to_data.doctree
diff --git a/...guration/2.0/.doctrees/reference/libcasm/_autosummary/libcasm.local_configuration.doctree b/...guration/2.0/.doctrees/reference/libcasm/_autosummary/libcasm.local_configuration.doctree
diff --git a/...bcasm/_autosummary/libcasm.local_configuration.make_canonical_local_configuration.doctree b/...bcasm/_autosummary/libcasm.local_configuration.make_canonical_local_configuration.doctree
diff --git a/...ence/libcasm/_autosummary/libcasm.local_configuration.make_equivalents_generators.doctree b/...ence/libcasm/_autosummary/libcasm.local_configuration.make_equivalents_generators.doctree
diff --git a/...asm/_autosummary/libcasm.local_configuration.make_occevent_equivalents_generators.doctree b/...asm/_autosummary/libcasm.local_configuration.make_occevent_equivalents_generators.doctree
diff --git a/...eference/libcasm/_autosummary/libcasm.local_configuration.make_occevent_suborbits.doctree b/...eference/libcasm/_autosummary/libcasm.local_configuration.make_occevent_suborbits.doctree
diff --git a/...guration/2.0/.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.OccEvent.doctree b/...guration/2.0/.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.OccEvent.doctree
diff --git a/.../.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.OccEvent.standardize.doctree b/.../.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.OccEvent.standardize.doctree
diff --git a/...uration/2.0/.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.OccSystem.doctree b/...uration/2.0/.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.OccSystem.doctree
diff --git a/...0/.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.OccSystem.from_dict.doctree b/...0/.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.OccSystem.from_dict.doctree
diff --git a/...0/.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.make_occevent_group.doctree b/...0/.doctrees/reference/libcasm/_autosummary/libcasm.occ_events.make_occevent_group.doctree
diff --git a/...on/2.0/.doctrees/reference/libcasm/_autosummary/libcasm.sym_info.SymGroup.to_dict.doctree b/...on/2.0/.doctrees/reference/libcasm/_autosummary/libcasm.sym_info.SymGroup.to_dict.doctree
diff --git a/docs/libcasm/configuration/2.0/.doctrees/reference/libcasm/index.doctree b/docs/libcasm/configuration/2.0/.doctrees/reference/libcasm/index.doctree
diff --git a/docs/libcasm/configuration/2.0/_modules/index.html b/docs/libcasm/configuration/2.0/_modules/index.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>Overview: module code &#8212; libcasm-configuration 2.0a5 documentation</title>
+    <title>Overview: module code &#8212; libcasm-configuration 2.0a6 documentation</title>
 
 
 
@@ -38,7 +38,7 @@
 <link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=5b4479735964841361fd" />
   <script src="../_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=5b4479735964841361fd"></script>
 
-    <script src="../_static/documentation_options.js?v=23fe37a4"></script>
+    <script src="../_static/documentation_options.js?v=1406bdce"></script>
     <script src="../_static/doctools.js?v=888ff710"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script>DOCUMENTATION_OPTIONS.pagename = '_modules/index';</script>
@@ -408,12 +408,19 @@ <h1>All modules for which code is available</h1>
 <li><a href="libcasm/configuration/io/tools.html">libcasm.configuration.io.tools</a></li>
 </ul><li><a href="libcasm/enumerate/_ConfigEnumAllOccupations.html">libcasm.enumerate._ConfigEnumAllOccupations</a></li>
 <li><a href="libcasm/enumerate/_ConfigEnumInfo.html">libcasm.enumerate._ConfigEnumInfo</a></li>
+<li><a href="libcasm/enumerate/_ConfigEnumLocalOccupations.html">libcasm.enumerate._ConfigEnumLocalOccupations</a></li>
 <li><a href="libcasm/enumerate/_ConfigEnumMeshGrid.html">libcasm.enumerate._ConfigEnumMeshGrid</a></li>
 <li><a href="libcasm/enumerate/_ScelEnum.html">libcasm.enumerate._ScelEnum</a></li>
 <li><a href="libcasm/enumerate/_SuperConfigEnum.html">libcasm.enumerate._SuperConfigEnum</a></li>
 <li><a href="libcasm/enumerate/_enumerate.html">libcasm.enumerate._enumerate</a></li>
+<li><a href="libcasm/enumerate/_make_distinct_super_configurations.html">libcasm.enumerate._make_distinct_super_configurations</a></li>
 <li><a href="libcasm/enumerate/_methods.html">libcasm.enumerate._methods</a></li>
+<li><a href="libcasm/enumerate/_point_defect_supercell_methods.html">libcasm.enumerate._point_defect_supercell_methods</a></li>
 <li><a href="libcasm/irreps/_irreps.html">libcasm.irreps._irreps</a></li>
+<li><a href="libcasm/local_configuration/_LocalConfiguration.html">libcasm.local_configuration._LocalConfiguration</a></li>
+<li><a href="libcasm/local_configuration/_OccEventPrimSymInfo.html">libcasm.local_configuration._OccEventPrimSymInfo</a></li>
+<li><a href="libcasm/local_configuration/_OccEventSupercellSymInfo.html">libcasm.local_configuration._OccEventSupercellSymInfo</a></li>
+<li><a href="libcasm/local_configuration/_methods.html">libcasm.local_configuration._methods</a></li>
 <li><a href="libcasm/occ_events/_methods.html">libcasm.occ_events._methods</a></li>
 <li><a href="libcasm/occ_events/_occ_event_printer.html">libcasm.occ_events._occ_event_printer</a></li>
 <li><a href="libcasm/occ_events/_occ_events.html">libcasm.occ_events._occ_events</a></li>

diff --git a/docs/libcasm/configuration/2.0/_modules/libcasm/clusterography/_methods.html b/docs/libcasm/configuration/2.0/_modules/libcasm/clusterography/_methods.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>libcasm.clusterography._methods &#8212; libcasm-configuration 2.0a2 documentation</title>
+    <title>libcasm.clusterography._methods &#8212; libcasm-configuration 2.0a6 documentation</title>
 
 
 
@@ -28,18 +28,20 @@
 <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=a746c00c" />
+    <link rel="icon" sizes="32x32" type="image/png" href="../../../_static/favicon-32x32.png?v=f9ece728" />
+    <link rel="icon" sizes="16x16" type="image/png" href="../../../_static/favicon-16x16.png?v=dad9ad5b" />
+    <link rel="apple-touch-icon" sizes="180x180" type="image/png" href="../../../_static/apple-touch-icon.png?v=16836a53" />
     <link rel="stylesheet" type="text/css" href="../../../_static/css/custom.css?v=1d1c7082" />
 
   <!-- Pre-loaded scripts that we'll load fully later -->
   <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=5b4479735964841361fd" />
 <link rel="preload" as="script" href="../../../_static/scripts/pydata-sphinx-theme.js?digest=5b4479735964841361fd" />
   <script src="../../../_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=5b4479735964841361fd"></script>
 
-    <script src="../../../_static/documentation_options.js?v=e877a769"></script>
+    <script src="../../../_static/documentation_options.js?v=1406bdce"></script>
     <script src="../../../_static/doctools.js?v=888ff710"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script>DOCUMENTATION_OPTIONS.pagename = '_modules/libcasm/clusterography/_methods';</script>
-    <link rel="icon" href="../../../_static/small_logo.svg"/>
     <link rel="index" title="Index" href="../../../genindex.html" />
     <link rel="search" title="Search" href="../../../search.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
@@ -123,7 +125,7 @@
     <script>document.write(`<img src="../../../_static/small_logo_dark.svg" class="logo__image only-dark" alt=""/>`);</script>
 
 
-    <p class="title logo__title">libcasm-xtal</p>
+    <p class="title logo__title">libcasm-configuration</p>
 
 </a></div>
 
@@ -198,6 +200,34 @@
 `);
 </script></div>
 
+        <div class="navbar-item"><ul class="navbar-icon-links navbar-nav"
+    aria-label="Icon Links">
+        <li class="nav-item">
+
+
+
+
+
+
+
+
+          <a href="https://github.com/prisms-center/CASMcode_configuration/" title="GitHub" class="nav-link" rel="noopener" target="_blank" data-bs-toggle="tooltip" data-bs-placement="bottom"><span><i class="fa-brands fa-github fa-lg" aria-hidden="true"></i></span>
+            <span class="sr-only">GitHub</span></a>
+        </li>
+        <li class="nav-item">
+
+
+
+
+
+
+
+
+          <a href="https://pypi.org/project/libcasm-configuration/" title="PyPI" class="nav-link" rel="noopener" target="_blank" data-bs-toggle="tooltip" data-bs-placement="bottom"><span><i class="fa-brands fa-python fa-lg" aria-hidden="true"></i></span>
+            <span class="sr-only">PyPI</span></a>
+        </li>
+</ul></div>
+
     </div>
 
   </div>
@@ -285,6 +315,34 @@
 `);
 </script></div>
 
+          <div class="navbar-item"><ul class="navbar-icon-links navbar-nav"
+    aria-label="Icon Links">
+        <li class="nav-item">
+
+
+
+
+
+
+
+
+          <a href="https://github.com/prisms-center/CASMcode_configuration/" title="GitHub" class="nav-link" rel="noopener" target="_blank" data-bs-toggle="tooltip" data-bs-placement="bottom"><span><i class="fa-brands fa-github fa-lg" aria-hidden="true"></i></span>
+            <span class="sr-only">GitHub</span></a>
+        </li>
+        <li class="nav-item">
+
+
+
+
+
+
+
+
+          <a href="https://pypi.org/project/libcasm-configuration/" title="PyPI" class="nav-link" rel="noopener" target="_blank" data-bs-toggle="tooltip" data-bs-placement="bottom"><span><i class="fa-brands fa-python fa-lg" aria-hidden="true"></i></span>
+            <span class="sr-only">PyPI</span></a>
+        </li>
+</ul></div>
+
       </div>
 
   </div>
@@ -425,7 +483,7 @@ <h1>Source code for libcasm.clusterography._methods</h1><div class="highlight"><
 <span class="sd">    &quot;&quot;&quot;</span>
     <span class="n">prim_factor_group</span> <span class="o">=</span> <span class="n">sym_info</span><span class="o">.</span><span class="n">make_factor_group</span><span class="p">(</span><span class="n">xtal_prim</span><span class="p">)</span>
     <span class="n">symgroup_rep</span> <span class="o">=</span> <span class="n">_clust</span><span class="o">.</span><span class="n">make_integral_site_coordinate_symgroup_rep</span><span class="p">(</span>
-        <span class="n">prim_factor_group</span><span class="o">.</span><span class="n">elements</span><span class="p">(),</span> <span class="n">xtal_prim</span>
+        <span class="n">prim_factor_group</span><span class="o">.</span><span class="n">elements</span><span class="p">,</span> <span class="n">xtal_prim</span>
     <span class="p">)</span>
     <span class="n">occevent_group</span> <span class="o">=</span> <span class="n">_clust</span><span class="o">.</span><span class="n">make_cluster_group</span><span class="p">(</span>
         <span class="n">cluster</span><span class="o">=</span><span class="n">phenomenal_cluster</span><span class="p">,</span>
@@ -483,7 +541,7 @@ <h1>Source code for libcasm.clusterography._methods</h1><div class="highlight"><
 
   <p class="copyright">
 
-      © Copyright 2023, CASM Developers.
+      © Copyright 2024, CASM Developers.
       <br/>
 
   </p>