Skip to content

Commit f137a39

Browse files
committed
deploy: d38e30c
1 parent c4b268a commit f137a39

25 files changed

+49
-45
lines changed

.buildinfo

+1-1
Original file line numberDiff line numberDiff line change
@@ -1,4 +1,4 @@
11
# Sphinx build info version 1
22
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
3-
config: 90d9fc1c221167f6f9eb58b7faa07700
3+
config: ae955cd30cb230715fca397cac2d2bcd
44
tags: 645f666f9bcd5a90fca523b33c5a78b7

_modules/index.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
77
<head>
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
10-
<title>Overview: module code &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
10+
<title>Overview: module code &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1111

1212

1313

@@ -45,7 +45,7 @@
4545
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4646
<!-- End Google Tag Manager -->
4747

48-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
48+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
4949
<script src="../_static/doctools.js?v=9a2dae69"></script>
5050
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5151
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

_modules/packmol_step/installer.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
77
<head>
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
10-
<title>packmol_step.installer &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
10+
<title>packmol_step.installer &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1111

1212

1313

@@ -45,7 +45,7 @@
4545
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4646
<!-- End Google Tag Manager -->
4747

48-
<script src="../../_static/documentation_options.js?v=69a5bd6e"></script>
48+
<script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
4949
<script src="../../_static/doctools.js?v=9a2dae69"></script>
5050
<script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
5151
<script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

_modules/packmol_step/packmol.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
77
<head>
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
10-
<title>packmol_step.packmol &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
10+
<title>packmol_step.packmol &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1111

1212

1313

@@ -45,7 +45,7 @@
4545
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4646
<!-- End Google Tag Manager -->
4747

48-
<script src="../../_static/documentation_options.js?v=69a5bd6e"></script>
48+
<script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
4949
<script src="../../_static/doctools.js?v=9a2dae69"></script>
5050
<script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
5151
<script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

_modules/packmol_step/packmol_parameters.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
77
<head>
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
10-
<title>packmol_step.packmol_parameters &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
10+
<title>packmol_step.packmol_parameters &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1111

1212

1313

@@ -45,7 +45,7 @@
4545
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4646
<!-- End Google Tag Manager -->
4747

48-
<script src="../../_static/documentation_options.js?v=69a5bd6e"></script>
48+
<script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
4949
<script src="../../_static/doctools.js?v=9a2dae69"></script>
5050
<script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
5151
<script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

_modules/packmol_step/packmol_step.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
77
<head>
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
10-
<title>packmol_step.packmol_step &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
10+
<title>packmol_step.packmol_step &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1111

1212

1313

@@ -45,7 +45,7 @@
4545
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4646
<!-- End Google Tag Manager -->
4747

48-
<script src="../../_static/documentation_options.js?v=69a5bd6e"></script>
48+
<script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
4949
<script src="../../_static/doctools.js?v=9a2dae69"></script>
5050
<script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
5151
<script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

_modules/packmol_step/tk_packmol.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
77
<head>
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
10-
<title>packmol_step.tk_packmol &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
10+
<title>packmol_step.tk_packmol &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1111

1212

1313

@@ -45,7 +45,7 @@
4545
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4646
<!-- End Google Tag Manager -->
4747

48-
<script src="../../_static/documentation_options.js?v=69a5bd6e"></script>
48+
<script src="../../_static/documentation_options.js?v=6f4c4d86"></script>
4949
<script src="../../_static/doctools.js?v=9a2dae69"></script>
5050
<script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
5151
<script src="../../_static/clipboard.min.js?v=a7894cd8"></script>

_static/documentation_options.js

+1-1
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
11
const DOCUMENTATION_OPTIONS = {
2-
VERSION: '2024.6.21',
2+
VERSION: '2024.6.21.1',
33
LANGUAGE: 'en',
44
COLLAPSE_INDEX: false,
55
BUILDER: 'html',

api/index.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>API Documentation &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>API Documentation &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="../_static/doctools.js?v=9a2dae69"></script>
5151
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

api/modules.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>packmol_step &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>packmol_step &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="../_static/doctools.js?v=9a2dae69"></script>
5151
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

api/packmol_step.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>packmol_step package &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>packmol_step package &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="../_static/doctools.js?v=9a2dae69"></script>
5151
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

authors.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>Development Team &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>Development Team &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="_static/doctools.js?v=9a2dae69"></script>
5151
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="_static/clipboard.min.js?v=a7894cd8"></script>

developer_guide/contributing.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>Contributing &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>Contributing &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="../_static/doctools.js?v=9a2dae69"></script>
5151
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

developer_guide/index.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>Developer Documentation &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>Developer Documentation &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="../_static/doctools.js?v=9a2dae69"></script>
5151
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

developer_guide/installation.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>Installation &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>Installation &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="../_static/doctools.js?v=9a2dae69"></script>
5151
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

developer_guide/usage.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>Usage &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>Usage &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="../_static/doctools.js?v=9a2dae69"></script>
5151
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

genindex.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
77
<head>
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
10-
<title>Index &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
10+
<title>Index &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1111

1212

1313

@@ -45,7 +45,7 @@
4545
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4646
<!-- End Google Tag Manager -->
4747

48-
<script src="_static/documentation_options.js?v=69a5bd6e"></script>
48+
<script src="_static/documentation_options.js?v=6f4c4d86"></script>
4949
<script src="_static/doctools.js?v=9a2dae69"></script>
5050
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
5151
<script src="_static/clipboard.min.js?v=a7894cd8"></script>

getting_started/index.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>Getting Started &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>Getting Started &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="../_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="../_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="../_static/doctools.js?v=9a2dae69"></script>
5151
<script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="../_static/clipboard.min.js?v=a7894cd8"></script>

history.html

+6-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>History &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>History &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="_static/doctools.js?v=9a2dae69"></script>
5151
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="_static/clipboard.min.js?v=a7894cd8"></script>
@@ -497,6 +497,10 @@
497497
<section id="history">
498498
<h1>History<a class="headerlink" href="#history" title="Link to this heading">#</a></h1>
499499
<dl class="simple">
500+
<dt>2024.6.21.1 – Internal release for Docker</dt><dd><ul class="simple">
501+
<li><p>There was an internal issue creating the Docker image.</p></li>
502+
</ul>
503+
</dd>
500504
<dt>2024.6.21 – Switching to RDKit for SMILES</dt><dd><ul class="simple">
501505
<li><p>Using RDKit for SMILES since we found some issues with OpenBabel, and also the
502506
atom typing uses RDKit, so this is more compatible.</p></li>

index.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
1010

11-
<title>Packmol Step &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
11+
<title>Packmol Step &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1212

1313

1414

@@ -46,7 +46,7 @@
4646
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4747
<!-- End Google Tag Manager -->
4848

49-
<script src="_static/documentation_options.js?v=69a5bd6e"></script>
49+
<script src="_static/documentation_options.js?v=6f4c4d86"></script>
5050
<script src="_static/doctools.js?v=9a2dae69"></script>
5151
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
5252
<script src="_static/clipboard.min.js?v=a7894cd8"></script>

objects.inv

2 Bytes
Binary file not shown.

py-modindex.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,7 @@
77
<head>
88
<meta charset="utf-8" />
99
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
10-
<title>Python Module Index &#8212; SEAMM Packmol Plug-in 2024.6.21 documentation</title>
10+
<title>Python Module Index &#8212; SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1111

1212

1313

@@ -45,7 +45,7 @@
4545
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4646
<!-- End Google Tag Manager -->
4747

48-
<script src="_static/documentation_options.js?v=69a5bd6e"></script>
48+
<script src="_static/documentation_options.js?v=6f4c4d86"></script>
4949
<script src="_static/doctools.js?v=9a2dae69"></script>
5050
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
5151
<script src="_static/clipboard.min.js?v=a7894cd8"></script>

search.html

+2-2
Original file line numberDiff line numberDiff line change
@@ -6,7 +6,7 @@
66

77
<head>
88
<meta charset="utf-8" />
9-
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - SEAMM Packmol Plug-in 2024.6.21 documentation</title>
9+
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><title>Search - SEAMM Packmol Plug-in 2024.6.21.1 documentation</title>
1010

1111

1212

@@ -44,7 +44,7 @@
4444
})(window,document,'script','dataLayer','GTM-PQXXTJ2');</script>
4545
<!-- End Google Tag Manager -->
4646

47-
<script src="_static/documentation_options.js?v=69a5bd6e"></script>
47+
<script src="_static/documentation_options.js?v=6f4c4d86"></script>
4848
<script src="_static/doctools.js?v=9a2dae69"></script>
4949
<script src="_static/sphinx_highlight.js?v=dc90522c"></script>
5050
<script src="_static/clipboard.min.js?v=a7894cd8"></script>

searchindex.js

+1-1
Some generated files are not rendered by default. Learn more about customizing how changed files appear on GitHub.

0 commit comments

Comments
 (0)