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mveril 2022-05-27 12:00:37 +00:00
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4
404.html
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@ -40,7 +40,7 @@
<meta name="twitter:card" content="summary" /> <meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@LCPQ_UMR5626" /> <meta name="twitter:site" content="@LCPQ_UMR5626" />
<meta name="twitter:creator" content="@LCPQ_UMR5626" /> <meta name="twitter:creator" content="@LCPQ_UMR5626" />
<meta name="generator" content="Hugo 0.92.0" /> <meta name="generator" content="Hugo 0.96.0" />
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<p class="credits theme-by text-muted"> <p class="credits theme-by text-muted">
<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
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categories/index.html
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@ -41,7 +41,7 @@
<meta name="twitter:card" content="summary" /> <meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@LCPQ_UMR5626" /> <meta name="twitter:site" content="@LCPQ_UMR5626" />
<meta name="twitter:creator" content="@LCPQ_UMR5626" /> <meta name="twitter:creator" content="@LCPQ_UMR5626" />
<meta name="generator" content="Hugo 0.92.0" /> <meta name="generator" content="Hugo 0.96.0" />
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@ -294,7 +294,7 @@ MathJax.Hub.Config({
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<p class="credits theme-by text-muted"> <p class="credits theme-by text-muted">
<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
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data/database.json
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data/structures/QUEST6/dimethylaniline.xyz
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@ -1,22 +1,22 @@
20 20
Dimethylaniline,^1A_1,CCSD(T),cc-pVTZ Dimethylaniline,^1A_1,CCSD(T),cc-pVTZ
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dataset/index.html
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@ -91,7 +91,7 @@
<meta name="twitter:card" content="summary" /> <meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@LCPQ_UMR5626" /> <meta name="twitter:site" content="@LCPQ_UMR5626" />
<meta name="twitter:creator" content="@LCPQ_UMR5626" /> <meta name="twitter:creator" content="@LCPQ_UMR5626" />
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@ -1295,7 +1295,7 @@ function getFluoFilesName(){
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<p class="credits theme-by text-muted"> <p class="credits theme-by text-muted">
<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
</p> </p>
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4
faq/index.html
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@ -93,7 +93,7 @@
<meta name="twitter:card" content="summary" /> <meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@LCPQ_UMR5626" /> <meta name="twitter:site" content="@LCPQ_UMR5626" />
<meta name="twitter:creator" content="@LCPQ_UMR5626" /> <meta name="twitter:creator" content="@LCPQ_UMR5626" />
<meta name="generator" content="Hugo 0.92.0" /> <meta name="generator" content="Hugo 0.96.0" />
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@ -368,7 +368,7 @@ This button allows to export geometries as a <a href="https://en.wikipedia.org/w
</p> </p>
<p class="credits theme-by text-muted"> <p class="credits theme-by text-muted">
<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
</p> </p>
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4
index.html
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@ -43,7 +43,7 @@
<meta name="twitter:card" content="summary" /> <meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@LCPQ_UMR5626" /> <meta name="twitter:site" content="@LCPQ_UMR5626" />
<meta name="twitter:creator" content="@LCPQ_UMR5626" /> <meta name="twitter:creator" content="@LCPQ_UMR5626" />
<meta name="generator" content="Hugo 0.92.0" /> <meta name="generator" content="Hugo 0.96.0" />
<link rel="alternate" href="https://lcpq.github.io/QUESTDB_website/index.xml" type="application/rss+xml" title="QUEST: a database of highly-accurate excitation energies"><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.10.0/katex.min.css" integrity="sha384-9eLZqc9ds8eNjO3TmqPeYcDj8n+Qfa4nuSiGYa6DjLNcv9BtN69ZIulL9+8CqC9Y" crossorigin="anonymous"> <link rel="alternate" href="https://lcpq.github.io/QUESTDB_website/index.xml" type="application/rss+xml" title="QUEST: a database of highly-accurate excitation energies"><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.10.0/katex.min.css" integrity="sha384-9eLZqc9ds8eNjO3TmqPeYcDj8n+Qfa4nuSiGYa6DjLNcv9BtN69ZIulL9+8CqC9Y" crossorigin="anonymous">
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@ -356,7 +356,7 @@ The corresponding literature references associated with the QUEST dataset can be
</p> </p>
<p class="credits theme-by text-muted"> <p class="credits theme-by text-muted">
<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
</p> </p>
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2
index.xml
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@ -51,7 +51,7 @@
<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate> <pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author> <author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
<guid>https://lcpq.github.io/QUESTDB_website/view/</guid> <guid>https://lcpq.github.io/QUESTDB_website/view/</guid>
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</item> </item>
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references/index.html
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@ -91,7 +91,7 @@
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<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
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subsets/index.html
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@ -91,7 +91,7 @@
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<link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous"><link rel="stylesheet" href="https://lcpq.github.io/QUESTDB_website/css/main.css" /><link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Lora:400,700,400italic,700italic" /> <link rel="stylesheet" href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous"><link rel="stylesheet" href="https://lcpq.github.io/QUESTDB_website/css/main.css" /><link rel="stylesheet" href="https://fonts.googleapis.com/css?family=Lora:400,700,400italic,700italic" />
@ -775,7 +775,7 @@ We provide aug-cc-pVTZ reference vertical excitation energies for 91 excited sta
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<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
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tags/index.html
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@ -41,7 +41,7 @@
<meta name="twitter:card" content="summary" /> <meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@LCPQ_UMR5626" /> <meta name="twitter:site" content="@LCPQ_UMR5626" />
<meta name="twitter:creator" content="@LCPQ_UMR5626" /> <meta name="twitter:creator" content="@LCPQ_UMR5626" />
<meta name="generator" content="Hugo 0.92.0" /> <meta name="generator" content="Hugo 0.96.0" />
<link rel="alternate" href="https://lcpq.github.io/QUESTDB_website/index.xml" type="application/rss+xml" title="QUEST: a database of highly-accurate excitation energies"><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.10.0/katex.min.css" integrity="sha384-9eLZqc9ds8eNjO3TmqPeYcDj8n+Qfa4nuSiGYa6DjLNcv9BtN69ZIulL9+8CqC9Y" crossorigin="anonymous"> <link rel="alternate" href="https://lcpq.github.io/QUESTDB_website/index.xml" type="application/rss+xml" title="QUEST: a database of highly-accurate excitation energies"><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.10.0/katex.min.css" integrity="sha384-9eLZqc9ds8eNjO3TmqPeYcDj8n+Qfa4nuSiGYa6DjLNcv9BtN69ZIulL9+8CqC9Y" crossorigin="anonymous">
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@ -294,7 +294,7 @@ MathJax.Hub.Config({
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<p class="credits theme-by text-muted"> <p class="credits theme-by text-muted">
<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
</p> </p>
</div> </div>

14
view/index.html
View File

@ -8,7 +8,7 @@
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<title>view - QUEST: a database of highly-accurate excitation energies</title> <title>view - QUEST: a database of highly-accurate excitation energies</title>
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<meta name="twitter:card" content="summary" /> <meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@LCPQ_UMR5626" /> <meta name="twitter:site" content="@LCPQ_UMR5626" />
<meta name="twitter:creator" content="@LCPQ_UMR5626" /> <meta name="twitter:creator" content="@LCPQ_UMR5626" />
<meta name="generator" content="Hugo 0.92.0" /> <meta name="generator" content="Hugo 0.96.0" />
<link rel="alternate" href="https://lcpq.github.io/QUESTDB_website/index.xml" type="application/rss+xml" title="QUEST: a database of highly-accurate excitation energies"><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.10.0/katex.min.css" integrity="sha384-9eLZqc9ds8eNjO3TmqPeYcDj8n+Qfa4nuSiGYa6DjLNcv9BtN69ZIulL9+8CqC9Y" crossorigin="anonymous"> <link rel="alternate" href="https://lcpq.github.io/QUESTDB_website/index.xml" type="application/rss+xml" title="QUEST: a database of highly-accurate excitation energies"><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.10.0/katex.min.css" integrity="sha384-9eLZqc9ds8eNjO3TmqPeYcDj8n+Qfa4nuSiGYa6DjLNcv9BtN69ZIulL9+8CqC9Y" crossorigin="anonymous">
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var recomstring = "We recommend to use Firefox or a Chromium based browser like Google Chrome".; var recomstring = "We recommend to use Firefox or a Chromium based browser like Google Chrome.";
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</p> </p>
<p class="credits theme-by text-muted"> <p class="credits theme-by text-muted">
<a href="https://gohugo.io">Hugo v0.92.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> <a href="https://gohugo.io">Hugo v0.96.0</a> powered &nbsp;&bull;&nbsp; Theme <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a> adapted from <a href="https://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a>
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