deploy: e2ada58

molssi-seamm · Jun 21, 2024 · c6f574e · c6f574e
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diff --git a/.buildinfo b/.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: ae955cd30cb230715fca397cac2d2bcd
+config: 536ad01b8d45e04b332352d16e9651dc
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/_modules/index.html b/_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; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Overview: module code &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/_modules/packmol_step/installer.html b/_modules/packmol_step/installer.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>packmol_step.installer &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>packmol_step.installer &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/_modules/packmol_step/packmol.html b/_modules/packmol_step/packmol.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>packmol_step.packmol &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>packmol_step.packmol &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/_modules/packmol_step/packmol_parameters.html b/_modules/packmol_step/packmol_parameters.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>packmol_step.packmol_parameters &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>packmol_step.packmol_parameters &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/_modules/packmol_step/packmol_step.html b/_modules/packmol_step/packmol_step.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>packmol_step.packmol_step &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>packmol_step.packmol_step &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/_modules/packmol_step/tk_packmol.html b/_modules/packmol_step/tk_packmol.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>packmol_step.tk_packmol &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>packmol_step.tk_packmol &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/_static/documentation_options.js b/_static/documentation_options.js
@@ -1,5 +1,5 @@
 const DOCUMENTATION_OPTIONS = {
-    VERSION: '2024.6.21.1',
+    VERSION: '2024.6.21.2',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',

diff --git a/api/index.html b/api/index.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>API Documentation &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>API Documentation &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/api/modules.html b/api/modules.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>packmol_step &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>packmol_step &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/api/packmol_step.html b/api/packmol_step.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>packmol_step package &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>packmol_step package &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/authors.html b/authors.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Development Team &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Development Team &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/developer_guide/contributing.html b/developer_guide/contributing.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Contributing &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Contributing &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/developer_guide/index.html b/developer_guide/index.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Developer Documentation &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Developer Documentation &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/developer_guide/installation.html b/developer_guide/installation.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Installation &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Installation &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/developer_guide/usage.html b/developer_guide/usage.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Usage &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Usage &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/genindex.html b/genindex.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>Index &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Index &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/getting_started/index.html b/getting_started/index.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Getting Started &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Getting Started &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/history.html b/history.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>History &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>History &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/clipboard.min.js?v=a7894cd8"></script>
@@ -496,6 +496,7 @@
 
   <section id="history">
 <h1>History<a class="headerlink" href="#history" title="Link to this heading">#</a></h1>
+<p>2024.6.21.2 – Another internal release for Docker.</p>
 <dl class="simple">
 <dt>2024.6.21.1 – Internal release for Docker</dt><dd><ul class="simple">
 <li><p>There was an internal issue creating the Docker image.</p></li>

diff --git a/index.html b/index.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>Packmol Step &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Packmol Step &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/objects.inv b/objects.inv
diff --git a/py-modindex.html b/py-modindex.html
@@ -7,7 +7,7 @@
   <head>
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-    <title>Python Module Index &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>Python Module Index &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -45,7 +45,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/search.html b/search.html
@@ -6,7 +6,7 @@
 
   <head>
     <meta charset="utf-8" />
-    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -44,7 +44,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/clipboard.min.js?v=a7894cd8"></script>

diff --git a/searchindex.js b/searchindex.js
diff --git a/user_guide/index.html b/user_guide/index.html
@@ -8,7 +8,7 @@
     <meta charset="utf-8" />
     <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
-    <title>User Guide &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
+    <title>User Guide &#8212; SEAMM Packmol Plug-in 2024.6.21.2 documentation</title>
 
 
 
@@ -46,7 +46,7 @@
 })(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
 <!-- End Google Tag Manager -->
 
-    <script src="../_static/documentation_options.js?v=6f4c4d86"></script>
+    <script src="../_static/documentation_options.js?v=58b4c7ec"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>