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1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-27 05:43:31 +01:00
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Anthony Scemama 2019-05-15 15:55:13 +02:00
parent b74c2dbb7e
commit 68e2978aba
13 changed files with 120 additions and 56 deletions

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@ -10,8 +10,8 @@
<meta name="twitter:title" content="404 Page not found" />
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -19,7 +19,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/qp2" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -84,7 +84,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -158,7 +158,7 @@
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

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@ -10,8 +10,8 @@
<meta name="twitter:title" content="Categories" />
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -19,7 +19,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/categories/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -84,7 +84,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -187,7 +187,7 @@
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

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@ -15,8 +15,8 @@ The determinant-driven framework allows the programmer to include any arbitrary
<meta name="twitter:description" content="Quantum Package is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected …">
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -24,7 +24,7 @@ The determinant-driven framework allows the programmer to include any arbitrary
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -89,7 +89,7 @@ The determinant-driven framework allows the programmer to include any arbitrary
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -248,7 +248,7 @@ Yann Garniron, Thomas Applencourt, Kevin Gasperich, Anouar Benali, Anthony Fert
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

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@ -10,8 +10,8 @@
<meta name="twitter:title" content="Pages" />
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -19,7 +19,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/page/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -84,7 +84,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -229,7 +229,7 @@ First create a file named be.
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

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@ -22,8 +22,8 @@ First create a file named be.">
export EDITOR=vim You may need to tell your web …">
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -31,7 +31,7 @@ export EDITOR=vim You may need to tell your web …">
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/page/try/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -96,7 +96,7 @@ export EDITOR=vim You may need to tell your web …">
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -185,6 +185,18 @@ get the Full-CI energy of the HCN molecule.</p>
<p>That&rsquo;s it!</p>
</article>
<ul class="pager blog-pager">
<li class="previous">
<a href="https://quantumpackage.github.io/qp2/page/tutorials/" data-toggle="tooltip" data-placement="top" title="Video Tutorials">&larr; Previous Post</a>
</li>
</ul>
</div>
</div>
</div>
@ -241,7 +253,7 @@ get the Full-CI energy of the HCN molecule.</p>
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

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@ -13,8 +13,8 @@
<meta name="twitter:description" content=" Installation Hartree-Fock Full-CI ">
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -22,7 +22,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/page/tutorials/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -87,7 +87,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -142,6 +142,18 @@
</ul>
</article>
<ul class="pager blog-pager">
<li class="next">
<a href="https://quantumpackage.github.io/qp2/page/try/" data-toggle="tooltip" data-placement="top" title="QP terminal">Next Post &rarr;</a>
</li>
</ul>
</div>
</div>
</div>
@ -198,7 +210,7 @@
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

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@ -13,8 +13,8 @@
<meta name="twitter:description" content="Enter in qpsh mode for auto completion ~/your_path_to_qp/bin/qpsh Create an EZFIO DATA BASE from .xyz qp create_ezfio -b 6-31g hcn.xyz # output:: hcn.ezfio DATA BASE Run a HF calculation on the …">
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -22,7 +22,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/post/full-ci/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -87,7 +87,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -194,6 +194,18 @@
</code></pre>
</article>
<ul class="pager blog-pager">
<li class="previous">
<a href="https://quantumpackage.github.io/qp2/post/hartree-fock/" data-toggle="tooltip" data-placement="top" title="Hartree-Fock calculation">&larr; Previous Post</a>
</li>
</ul>
</div>
</div>
</div>
@ -250,7 +262,7 @@
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

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@ -13,8 +13,8 @@
<meta name="twitter:description" content=" Enter in qpsh mode for auto completion ~/your_path_to_qp/bin/qpsh Create an EZFIO DATA BASE from .xyz qp create_ezfio -b 6-31g hcn.xyz Run a HF calculation on the EZFIO and put the output in …">
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -22,7 +22,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/post/hartree-fock/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -87,7 +87,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -170,6 +170,22 @@
</code></pre>
</article>
<ul class="pager blog-pager">
<li class="previous">
<a href="https://quantumpackage.github.io/qp2/post/installation/" data-toggle="tooltip" data-placement="top" title="Installation">&larr; Previous Post</a>
</li>
<li class="next">
<a href="https://quantumpackage.github.io/qp2/post/full-ci/" data-toggle="tooltip" data-placement="top" title="Full-CI calculation">Next Post &rarr;</a>
</li>
</ul>
</div>
</div>
</div>
@ -226,7 +242,7 @@
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

View File

@ -10,8 +10,8 @@
<meta name="twitter:title" content="Posts" />
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -19,7 +19,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/post/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -84,7 +84,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -268,7 +268,7 @@
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

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@ -15,8 +15,8 @@
<meta name="twitter:description" content="Download the source files git clone https://github.com/QuantumPackage/qp2.git Install the dependencies ./configure # tells you what to install. See in INSTALL.rst USE AT YOUR OWN RISK, NO …">
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -24,7 +24,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/post/installation/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -89,7 +89,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -203,6 +203,18 @@
</code></pre>
</article>
<ul class="pager blog-pager">
<li class="next">
<a href="https://quantumpackage.github.io/qp2/post/hartree-fock/" data-toggle="tooltip" data-placement="top" title="Hartree-Fock calculation">Next Post &rarr;</a>
</li>
</ul>
</div>
</div>
</div>
@ -259,7 +271,7 @@
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>

View File

@ -14,7 +14,7 @@ pygmentCodeFences = true
[Params]
subtitle = "A programming environment for wave function methods"
logo = "img/QP2_circle.png"
logo = "img/qp_box.png"
favicon = "favicon"
dateFormat = "January 2, 2006"
commit = false

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@ -10,8 +10,8 @@
<meta name="twitter:title" content="Tags" />
<meta name="author" content=""/>
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
<meta name="twitter:card" content="summary" />
<meta name="twitter:site" content="@quantum_package" />
<meta name="twitter:creator" content="@quantum_package" />
@ -19,7 +19,7 @@
<meta property="og:type" content="website" />
<meta property="og:site_name" content="Quantum Package" />
<meta name="generator" content="Hugo 0.54.0" />
<meta name="generator" content="Hugo 0.53" />
<link rel="canonical" href="https://quantumpackage.github.io/tags/" />
<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
@ -84,7 +84,7 @@
<div class="avatar-img-border">
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
</a>
</div>
@ -187,7 +187,7 @@
</p>
<p class="credits theme-by text-muted">
<a href="http://gohugo.io">Hugo v0.54.0</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
<a href="http://gohugo.io">Hugo v0.53</a> powered &nbsp;&bull;&nbsp; Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
</p>
</div>