Skip to content

Commit

Permalink
build based on 4e8fdbe
Browse files Browse the repository at this point in the history
  • Loading branch information
Documenter.jl committed May 12, 2024
1 parent 1d12429 commit 7908e32
Show file tree
Hide file tree
Showing 4 changed files with 4 additions and 4 deletions.
2 changes: 1 addition & 1 deletion dev/.documenter-siteinfo.json
View file
Original file line number Diff line number Diff line change
@@ -1 +1 @@
{"documenter":{"julia_version":"1.9.4","generation_timestamp":"2024-05-12T00:52:49","documenter_version":"1.4.1"}}
{"documenter":{"julia_version":"1.9.4","generation_timestamp":"2024-05-12T00:55:59","documenter_version":"1.4.1"}}
2 changes: 1 addition & 1 deletion dev/basis/index.html
View file
Original file line number Diff line number Diff line change
@@ -1,2 +1,2 @@
<!DOCTYPE html>
<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>Basis Sets · OohataHuzinaga.jl</title><meta name="title" content="Basis Sets · OohataHuzinaga.jl"/><meta property="og:title" content="Basis Sets · OohataHuzinaga.jl"/><meta property="twitter:title" content="Basis Sets · OohataHuzinaga.jl"/><meta name="description" content="Documentation for OohataHuzinaga.jl."/><meta property="og:description" content="Documentation for OohataHuzinaga.jl."/><meta property="twitter:description" content="Documentation for OohataHuzinaga.jl."/><script data-outdated-warner src="../assets/warner.js"></script><link href="https://cdnjs.cloudflare.com/ajax/libs/lato-font/3.0.0/css/lato-font.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/juliamono/0.050/juliamono.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/fontawesome.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/solid.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/brands.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.16.8/katex.min.css" rel="stylesheet" type="text/css"/><script>documenterBaseURL=".."</script><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.6/require.min.js" data-main="../assets/documenter.js"></script><script src="../search_index.js"></script><script src="../siteinfo.js"></script><script src="../../versions.js"></script><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/documenter-dark.css" data-theme-name="documenter-dark" data-theme-primary-dark/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/documenter-light.css" data-theme-name="documenter-light" data-theme-primary/><script src="../assets/themeswap.js"></script></head><body><div id="documenter"><nav class="docs-sidebar"><div class="docs-package-name"><span class="docs-autofit"><a href="../">OohataHuzinaga.jl</a></span></div><button class="docs-search-query input is-rounded is-small is-clickable my-2 mx-auto py-1 px-2" id="documenter-search-query">Search docs (Ctrl + /)</button><ul class="docs-menu"><li><a class="tocitem" href="../">Home</a></li><li><span class="tocitem">API</span><ul><li><a class="tocitem" href="../input/">Input</a></li><li class="is-active"><a class="tocitem" href>Basis Sets</a><ul class="internal"><li><a class="tocitem" href="#Gaussian-Basis-Sets"><span>Gaussian Basis Sets</span></a></li></ul></li></ul></li></ul><div class="docs-version-selector field has-addons"><div class="control"><span class="docs-label button is-static is-size-7">Version</span></div><div class="docs-selector control is-expanded"><div class="select is-fullwidth is-size-7"><select id="documenter-version-selector"></select></div></div></div></nav><div class="docs-main"><header class="docs-navbar"><a class="docs-sidebar-button docs-navbar-link fa-solid fa-bars is-hidden-desktop" id="documenter-sidebar-button" href="#"></a><nav class="breadcrumb"><ul class="is-hidden-mobile"><li><a class="is-disabled">API</a></li><li class="is-active"><a href>Basis Sets</a></li></ul><ul class="is-hidden-tablet"><li class="is-active"><a href>Basis Sets</a></li></ul></nav><div class="docs-right"><a class="docs-navbar-link" href="https://github.com/HartreeFoca/OohataHuzinaga.jl" title="View the repository on GitHub"><span class="docs-icon fa-brands"></span><span class="docs-label is-hidden-touch">GitHub</span></a><a class="docs-navbar-link" href="https://github.com/HartreeFoca/OohataHuzinaga.jl/blob/main/docs/src/basis.md" title="Edit source on GitHub"><span class="docs-icon fa-solid"></span></a><a class="docs-settings-button docs-navbar-link fa-solid fa-gear" id="documenter-settings-button" href="#" title="Settings"></a><a class="docs-article-toggle-button fa-solid fa-chevron-up" id="documenter-article-toggle-button" href="javascript:;" title="Collapse all docstrings"></a></div></header><article class="content" id="documenter-page"><h2 id="Gaussian-Basis-Sets"><a class="docs-heading-anchor" href="#Gaussian-Basis-Sets">Gaussian Basis Sets</a><a id="Gaussian-Basis-Sets-1"></a><a class="docs-heading-anchor-permalink" href="#Gaussian-Basis-Sets" title="Permalink"></a></h2><p>To access basis sets from <a href="https://www.basissetexchange.org/">Basis Set Exchange</a>, you will need to install the <a href="https://github.com/HartreeFoca/BasisSets.jl">Basis Set Exchange API in Julia</a></p></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../input/">« Input</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.4.1 on <span class="colophon-date" title="Sunday 12 May 2024 00:52">Sunday 12 May 2024</span>. Using Julia version 1.9.4.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>Basis Sets · OohataHuzinaga.jl</title><meta name="title" content="Basis Sets · OohataHuzinaga.jl"/><meta property="og:title" content="Basis Sets · OohataHuzinaga.jl"/><meta property="twitter:title" content="Basis Sets · OohataHuzinaga.jl"/><meta name="description" content="Documentation for OohataHuzinaga.jl."/><meta property="og:description" content="Documentation for OohataHuzinaga.jl."/><meta property="twitter:description" content="Documentation for OohataHuzinaga.jl."/><script data-outdated-warner src="../assets/warner.js"></script><link href="https://cdnjs.cloudflare.com/ajax/libs/lato-font/3.0.0/css/lato-font.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/juliamono/0.050/juliamono.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/fontawesome.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/solid.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/6.4.2/css/brands.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.16.8/katex.min.css" rel="stylesheet" type="text/css"/><script>documenterBaseURL=".."</script><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.6/require.min.js" data-main="../assets/documenter.js"></script><script src="../search_index.js"></script><script src="../siteinfo.js"></script><script src="../../versions.js"></script><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/documenter-dark.css" data-theme-name="documenter-dark" data-theme-primary-dark/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../assets/themes/documenter-light.css" data-theme-name="documenter-light" data-theme-primary/><script src="../assets/themeswap.js"></script></head><body><div id="documenter"><nav class="docs-sidebar"><div class="docs-package-name"><span class="docs-autofit"><a href="../">OohataHuzinaga.jl</a></span></div><button class="docs-search-query input is-rounded is-small is-clickable my-2 mx-auto py-1 px-2" id="documenter-search-query">Search docs (Ctrl + /)</button><ul class="docs-menu"><li><a class="tocitem" href="../">Home</a></li><li><span class="tocitem">API</span><ul><li><a class="tocitem" href="../input/">Input</a></li><li class="is-active"><a class="tocitem" href>Basis Sets</a><ul class="internal"><li><a class="tocitem" href="#Gaussian-Basis-Sets"><span>Gaussian Basis Sets</span></a></li></ul></li></ul></li></ul><div class="docs-version-selector field has-addons"><div class="control"><span class="docs-label button is-static is-size-7">Version</span></div><div class="docs-selector control is-expanded"><div class="select is-fullwidth is-size-7"><select id="documenter-version-selector"></select></div></div></div></nav><div class="docs-main"><header class="docs-navbar"><a class="docs-sidebar-button docs-navbar-link fa-solid fa-bars is-hidden-desktop" id="documenter-sidebar-button" href="#"></a><nav class="breadcrumb"><ul class="is-hidden-mobile"><li><a class="is-disabled">API</a></li><li class="is-active"><a href>Basis Sets</a></li></ul><ul class="is-hidden-tablet"><li class="is-active"><a href>Basis Sets</a></li></ul></nav><div class="docs-right"><a class="docs-navbar-link" href="https://github.com/HartreeFoca/OohataHuzinaga.jl" title="View the repository on GitHub"><span class="docs-icon fa-brands"></span><span class="docs-label is-hidden-touch">GitHub</span></a><a class="docs-navbar-link" href="https://github.com/HartreeFoca/OohataHuzinaga.jl/blob/main/docs/src/basis.md" title="Edit source on GitHub"><span class="docs-icon fa-solid"></span></a><a class="docs-settings-button docs-navbar-link fa-solid fa-gear" id="documenter-settings-button" href="#" title="Settings"></a><a class="docs-article-toggle-button fa-solid fa-chevron-up" id="documenter-article-toggle-button" href="javascript:;" title="Collapse all docstrings"></a></div></header><article class="content" id="documenter-page"><h2 id="Gaussian-Basis-Sets"><a class="docs-heading-anchor" href="#Gaussian-Basis-Sets">Gaussian Basis Sets</a><a id="Gaussian-Basis-Sets-1"></a><a class="docs-heading-anchor-permalink" href="#Gaussian-Basis-Sets" title="Permalink"></a></h2><p>To access basis sets from <a href="https://www.basissetexchange.org/">Basis Set Exchange</a>, you will need to install the <a href="https://github.com/HartreeFoca/BasisSets.jl">Basis Set Exchange API in Julia</a></p></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../input/">« Input</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.4.1 on <span class="colophon-date" title="Sunday 12 May 2024 00:55">Sunday 12 May 2024</span>. Using Julia version 1.9.4.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
2 changes: 1 addition & 1 deletion dev/index.html
View file
Original file line number Diff line number Diff line change
Expand Up @@ -8,4 +8,4 @@
H -0.92343260142312 -0.30159515034176 0.51179839372872</code></pre><pre><code class="language-julia hljs">methane = molecule(&quot;methane.xyz&quot;)</code></pre><p>For any molecular calculations, you will need a basis set.</p><pre><code class="language-julia hljs">sto3g = parsebasis(methane, &quot;sto-3g&quot;)</code></pre><p>With this information, we can build the molecular integrals.</p><pre><code class="language-julia hljs">S = overlap(sto3g, methane)
T = kinetic(sto3g, methane)
V = attraction(sto3g, methane)
G = repulsion(sto3g, methane)</code></pre></article><nav class="docs-footer"><a class="docs-footer-nextpage" href="input/">Input »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.4.1 on <span class="colophon-date" title="Sunday 12 May 2024 00:52">Sunday 12 May 2024</span>. Using Julia version 1.9.4.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
G = repulsion(sto3g, methane)</code></pre></article><nav class="docs-footer"><a class="docs-footer-nextpage" href="input/">Input »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.4.1 on <span class="colophon-date" title="Sunday 12 May 2024 00:55">Sunday 12 May 2024</span>. Using Julia version 1.9.4.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
Loading

0 comments on commit 7908e32

Please sign in to comment.