From 14020fc3081687a7a71c94cf9d60c1ca8bbcd8f6 Mon Sep 17 00:00:00 2001 From: seamm Date: Sat, 29 Jun 2024 14:14:32 +0000 Subject: [PATCH] deploy: d1598ebbd156fd7bf535feb309630327ed21d418 --- .buildinfo | 2 +- _modules/forcefield_step/forcefield.html | 564 ++++--- .../forcefield_parameters.html | 377 ++--- _modules/forcefield_step/forcefield_step.html | 369 ++--- _modules/forcefield_step/ligpargen.html | 1375 +++++++++++++++++ _modules/forcefield_step/tk_forcefield.html | 369 ++--- _modules/index.html | 370 ++--- _sources/api/forcefield_step.rst.txt | 8 + _sphinx_design_static/design-tabs.js | 104 +- ...8e8ffc24.min.css => sphinx-design.min.css} | 2 +- _static/basic.css | 2 +- _static/design-tabs.js | 104 +- _static/doctools.js | 2 +- _static/documentation_options.js | 2 +- _static/language_data.js | 4 +- _static/pygments.css | 138 +- _static/scripts/bootstrap.js | 2 +- _static/scripts/bootstrap.js.LICENSE.txt | 4 +- _static/scripts/bootstrap.js.map | 2 +- _static/scripts/pydata-sphinx-theme.js | 2 +- _static/scripts/pydata-sphinx-theme.js.map | 2 +- _static/searchtools.js | 165 +- ...8e8ffc24.min.css => sphinx-design.min.css} | 2 +- _static/styles/bootstrap.css | 6 +- _static/styles/bootstrap.css.map | 2 +- _static/styles/pydata-sphinx-theme.css | 2 +- _static/styles/pydata-sphinx-theme.css.map | 2 +- .../vendor/fontawesome/6.5.1/css/all.min.css | 5 - .../vendor/fontawesome/6.5.1/js/all.min.js | 2 - .../6.5.1/webfonts/fa-brands-400.woff2 | Bin 117372 -> 0 bytes .../6.5.1/webfonts/fa-regular-400.woff2 | Bin 25452 -> 0 bytes .../6.5.1/webfonts/fa-solid-900.woff2 | Bin 156496 -> 0 bytes .../6.5.1/webfonts/fa-v4compatibility.woff2 | Bin 4792 -> 0 bytes .../fontawesome/{6.5.1 => 6.5.2}/LICENSE.txt | 4 +- .../vendor/fontawesome/6.5.2/css/all.min.css | 5 + .../vendor/fontawesome/6.5.2/js/all.min.js | 2 + .../js/all.min.js.LICENSE.txt | 4 +- .../webfonts/fa-brands-400.ttf | Bin 207972 -> 209128 bytes .../6.5.2/webfonts/fa-brands-400.woff2 | Bin 0 -> 117852 bytes .../webfonts/fa-regular-400.ttf | Bin 68004 -> 67860 bytes .../6.5.2/webfonts/fa-regular-400.woff2 | Bin 0 -> 25392 bytes .../webfonts/fa-solid-900.ttf | Bin 419720 -> 420332 bytes .../6.5.2/webfonts/fa-solid-900.woff2 | Bin 0 -> 156400 bytes .../webfonts/fa-v4compatibility.ttf | Bin 10832 -> 10832 bytes .../6.5.2/webfonts/fa-v4compatibility.woff2 | Bin 0 -> 4792 bytes _static/webpack-macros.html | 24 +- api/forcefield_step.html | 538 ++++--- api/index.html | 371 ++--- api/modules.html | 380 ++--- authors.html | 380 ++--- developer_guide/contributing.html | 367 ++--- developer_guide/index.html | 367 ++--- developer_guide/installation.html | 367 ++--- developer_guide/readme.html | 370 ++--- developer_guide/usage.html | 367 ++--- genindex.html | 401 +++-- getting_started/index.html | 380 ++--- history.html | 388 +++-- index.html | 365 ++--- objects.inv | 10 +- py-modindex.html | 372 ++--- search.html | 391 ++--- searchindex.js | 2 +- user_guide/index.html | 380 ++--- 64 files changed, 5583 insertions(+), 4642 deletions(-) create mode 100644 _modules/forcefield_step/ligpargen.html rename _sphinx_design_static/{design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css => sphinx-design.min.css} (87%) rename _static/{design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css => sphinx-design.min.css} (87%) delete mode 100644 _static/vendor/fontawesome/6.5.1/css/all.min.css delete mode 100644 _static/vendor/fontawesome/6.5.1/js/all.min.js delete mode 100644 _static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2 delete mode 100644 _static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2 delete mode 100644 _static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2 delete mode 100644 _static/vendor/fontawesome/6.5.1/webfonts/fa-v4compatibility.woff2 rename _static/vendor/fontawesome/{6.5.1 => 6.5.2}/LICENSE.txt (98%) create mode 100644 _static/vendor/fontawesome/6.5.2/css/all.min.css create mode 100644 _static/vendor/fontawesome/6.5.2/js/all.min.js rename _static/vendor/fontawesome/{6.5.1 => 6.5.2}/js/all.min.js.LICENSE.txt (55%) rename _static/vendor/fontawesome/{6.5.1 => 6.5.2}/webfonts/fa-brands-400.ttf (92%) create mode 100644 _static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2 rename _static/vendor/fontawesome/{6.5.1 => 6.5.2}/webfonts/fa-regular-400.ttf (95%) create mode 100644 _static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2 rename _static/vendor/fontawesome/{6.5.1 => 6.5.2}/webfonts/fa-solid-900.ttf (93%) create mode 100644 _static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2 rename _static/vendor/fontawesome/{6.5.1 => 6.5.2}/webfonts/fa-v4compatibility.ttf (86%) create mode 100644 _static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.woff2 diff --git a/.buildinfo b/.buildinfo index 2494979..571e96f 100644 --- 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: 9278f69af22cbd44e124cda9e072af79 +config: f4b66b4faf93049c2673802b4abcd902 tags: 645f666f9bcd5a90fca523b33c5a78b7 diff --git a/_modules/forcefield_step/forcefield.html b/_modules/forcefield_step/forcefield.html index 5e3d954..8c76e48 100644 --- a/_modules/forcefield_step/forcefield.html +++ b/_modules/forcefield_step/forcefield.html @@ -7,35 +7,35 @@ - forcefield_step.forcefield — SEAMM Forcefield Plug-in 2024.1.10 documentation + forcefield_step.forcefield — SEAMM Forcefield Plug-in 2024.6.29 documentation - - - + + + - - - - + + + + - + - - - + + + - - + + - + @@ -64,28 +64,23 @@ - +
- + Back to top - + id="pst-primary-sidebar-checkbox"/> + - + id="pst-secondary-sidebar-checkbox"/> +
@@ -108,13 +103,16 @@
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+ -