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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<div class="avatar-img-border">
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<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
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<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
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<a href="http://gohugo.io">Hugo v0.54.0</a> powered • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
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<a href="http://gohugo.io">Hugo v0.53</a> powered • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
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<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
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<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
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<meta property="og:type" content="website" />
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<meta name="generator" content="Hugo 0.54.0" />
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<link rel="canonical" href="https://quantumpackage.github.io/categories/" />
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<div class="avatar-img-border">
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<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
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<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
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<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
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<a href="http://gohugo.io">Hugo v0.54.0</a> powered • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
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@ -15,8 +15,8 @@ The determinant-driven framework allows the programmer to include any arbitrary
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<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 …">
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<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 …">
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<meta name="author" content=""/>
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<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
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<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
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<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
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<meta property="og:type" content="website" />
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<meta property="og:type" content="website" />
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<meta property="og:site_name" content="Quantum Package" />
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<meta property="og:site_name" content="Quantum Package" />
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<meta name="generator" content="Hugo 0.54.0" />
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<meta name="generator" content="Hugo 0.53" />
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<link rel="canonical" href="https://quantumpackage.github.io/" />
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<link rel="canonical" href="https://quantumpackage.github.io/" />
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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||||||
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<div class="avatar-img-border">
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<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
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<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
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<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
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<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
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</a>
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</div>
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</div>
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@ -248,7 +248,7 @@ Yann Garniron, Thomas Applencourt, Kevin Gasperich, Anouar Benali, Anthony Fert
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</p>
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</p>
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<p class="credits theme-by text-muted">
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<p class="credits theme-by text-muted">
|
||||||
<a href="http://gohugo.io">Hugo v0.54.0</a> powered • 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 • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
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<meta name="twitter:title" content="Pages" />
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<meta name="twitter:title" content="Pages" />
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<meta name="author" content=""/>
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<meta name="author" content=""/>
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<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
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<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
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<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
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<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
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<meta name="twitter:card" content="summary" />
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<meta name="twitter:site" content="@quantum_package" />
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<meta property="og:type" content="website" />
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<meta property="og:type" content="website" />
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<meta property="og:site_name" content="Quantum Package" />
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<meta property="og:site_name" content="Quantum Package" />
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<meta name="generator" content="Hugo 0.54.0" />
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<meta name="generator" content="Hugo 0.53" />
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<link rel="canonical" href="https://quantumpackage.github.io/page/" />
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<link rel="canonical" href="https://quantumpackage.github.io/page/" />
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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||||||
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<div class="avatar-img-border">
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<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
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<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
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<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/qp_box.png" alt="Quantum Package" />
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</p>
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<p class="credits theme-by text-muted">
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<p class="credits theme-by text-muted">
|
||||||
<a href="http://gohugo.io">Hugo v0.54.0</a> powered • 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 • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
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||||||
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export EDITOR=vim You may need to tell your web …">
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export EDITOR=vim You may need to tell your web …">
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<meta name="author" content=""/>
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<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
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<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
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<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
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<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
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<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
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<meta name="twitter:card" content="summary" />
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<meta name="twitter:site" content="@quantum_package" />
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<meta name="twitter:site" content="@quantum_package" />
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<meta name="twitter:creator" content="@quantum_package" />
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<meta name="twitter:creator" content="@quantum_package" />
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<meta property="og:type" content="website" />
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<meta property="og:type" content="website" />
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<meta property="og:site_name" content="Quantum Package" />
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<meta property="og:site_name" content="Quantum Package" />
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<meta name="generator" content="Hugo 0.54.0" />
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<meta name="generator" content="Hugo 0.53" />
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<link rel="canonical" href="https://quantumpackage.github.io/page/try/" />
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<link rel="canonical" href="https://quantumpackage.github.io/page/try/" />
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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||||||
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
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<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
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<p>That’s it!</p>
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<p>That’s it!</p>
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</article>
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<li class="previous">
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<a href="https://quantumpackage.github.io/qp2/page/tutorials/" data-toggle="tooltip" data-placement="top" title="Video Tutorials">← Previous Post</a>
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||||||
|
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|
||||||
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|
||||||
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||||||
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||||||
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|
||||||
</div>
|
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|
||||||
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|
</div>
|
||||||
@ -241,7 +253,7 @@ get the Full-CI energy of the HCN molecule.</p>
|
|||||||
</p>
|
</p>
|
||||||
|
|
||||||
<p class="credits theme-by text-muted">
|
<p class="credits theme-by text-muted">
|
||||||
<a href="http://gohugo.io">Hugo v0.54.0</a> powered • 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 • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
|
||||||
|
|
||||||
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|
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|
||||||
</div>
|
</div>
|
||||||
|
@ -13,8 +13,8 @@
|
|||||||
<meta name="twitter:description" content=" Installation Hartree-Fock Full-CI ">
|
<meta name="twitter:description" content=" Installation Hartree-Fock Full-CI ">
|
||||||
<meta name="author" content=""/>
|
<meta name="author" content=""/>
|
||||||
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
|
<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 property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
|
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||||
<meta name="twitter:card" content="summary" />
|
<meta name="twitter:card" content="summary" />
|
||||||
<meta name="twitter:site" content="@quantum_package" />
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<meta name="twitter:site" content="@quantum_package" />
|
||||||
<meta name="twitter:creator" content="@quantum_package" />
|
<meta name="twitter:creator" content="@quantum_package" />
|
||||||
@ -22,7 +22,7 @@
|
|||||||
<meta property="og:type" content="website" />
|
<meta property="og:type" content="website" />
|
||||||
<meta property="og:site_name" content="Quantum Package" />
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<meta property="og:site_name" content="Quantum Package" />
|
||||||
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||||||
<meta name="generator" content="Hugo 0.54.0" />
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<meta name="generator" content="Hugo 0.53" />
|
||||||
<link rel="canonical" href="https://quantumpackage.github.io/page/tutorials/" />
|
<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="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">
|
<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">
|
<div class="avatar-img-border">
|
||||||
|
|
||||||
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
|
<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>
|
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|
||||||
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|
||||||
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|
||||||
@ -142,6 +142,18 @@
|
|||||||
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|
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|
||||||
|
|
||||||
</article>
|
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|
||||||
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|
||||||
|
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|
||||||
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|
||||||
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||||||
|
<li class="next">
|
||||||
|
<a href="https://quantumpackage.github.io/qp2/page/try/" data-toggle="tooltip" data-placement="top" title="QP terminal">Next Post →</a>
|
||||||
|
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|
||||||
|
|
||||||
|
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|
||||||
|
|
||||||
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||||||
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|
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|
||||||
@ -198,7 +210,7 @@
|
|||||||
</p>
|
</p>
|
||||||
|
|
||||||
<p class="credits theme-by text-muted">
|
<p class="credits theme-by text-muted">
|
||||||
<a href="http://gohugo.io">Hugo v0.54.0</a> powered • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
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<a href="http://gohugo.io">Hugo v0.53</a> powered • 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>
|
</p>
|
||||||
</div>
|
</div>
|
||||||
|
@ -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="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=""/>
|
<meta name="author" content=""/>
|
||||||
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
|
<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 property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
|
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||||
<meta name="twitter:card" content="summary" />
|
<meta name="twitter:card" content="summary" />
|
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<meta name="twitter:site" content="@quantum_package" />
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<meta name="twitter:site" content="@quantum_package" />
|
||||||
<meta name="twitter:creator" content="@quantum_package" />
|
<meta name="twitter:creator" content="@quantum_package" />
|
||||||
@ -22,7 +22,7 @@
|
|||||||
<meta property="og:type" content="website" />
|
<meta property="og:type" content="website" />
|
||||||
<meta property="og:site_name" content="Quantum Package" />
|
<meta property="og:site_name" content="Quantum Package" />
|
||||||
|
|
||||||
<meta name="generator" content="Hugo 0.54.0" />
|
<meta name="generator" content="Hugo 0.53" />
|
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<link rel="canonical" href="https://quantumpackage.github.io/post/full-ci/" />
|
<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="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">
|
<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">
|
<div class="avatar-img-border">
|
||||||
|
|
||||||
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
|
<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>
|
</a>
|
||||||
|
|
||||||
</div>
|
</div>
|
||||||
@ -194,6 +194,18 @@
|
|||||||
</code></pre>
|
</code></pre>
|
||||||
|
|
||||||
</article>
|
</article>
|
||||||
|
|
||||||
|
<ul class="pager blog-pager">
|
||||||
|
|
||||||
|
<li class="previous">
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||||||
|
<a href="https://quantumpackage.github.io/qp2/post/hartree-fock/" data-toggle="tooltip" data-placement="top" title="Hartree-Fock calculation">← Previous Post</a>
|
||||||
|
</li>
|
||||||
|
|
||||||
|
|
||||||
|
</ul>
|
||||||
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|
||||||
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|
||||||
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|
||||||
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|
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|
||||||
</div>
|
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|
||||||
</div>
|
</div>
|
||||||
@ -250,7 +262,7 @@
|
|||||||
</p>
|
</p>
|
||||||
|
|
||||||
<p class="credits theme-by text-muted">
|
<p class="credits theme-by text-muted">
|
||||||
<a href="http://gohugo.io">Hugo v0.54.0</a> powered • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
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|
||||||
|
|
||||||
</p>
|
</p>
|
||||||
</div>
|
</div>
|
||||||
|
@ -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="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=""/>
|
<meta name="author" content=""/>
|
||||||
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
|
<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" />
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<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/QP2_circle.png" />
|
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
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<meta name="twitter:card" content="summary" />
|
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|
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|
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<meta name="twitter:creator" content="@quantum_package" />
|
<meta name="twitter:creator" content="@quantum_package" />
|
||||||
@ -22,7 +22,7 @@
|
|||||||
<meta property="og:type" content="website" />
|
<meta property="og:type" content="website" />
|
||||||
<meta property="og:site_name" content="Quantum Package" />
|
<meta property="og:site_name" content="Quantum Package" />
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<meta name="generator" content="Hugo 0.54.0" />
|
<meta name="generator" content="Hugo 0.53" />
|
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<link rel="canonical" href="https://quantumpackage.github.io/post/hartree-fock/" />
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<link rel="canonical" href="https://quantumpackage.github.io/post/hartree-fock/" />
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
|
<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">
|
<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">
|
<div class="avatar-img-border">
|
||||||
|
|
||||||
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
|
<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" />
|
||||||
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|
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|
||||||
|
|
||||||
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|
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|
||||||
@ -170,6 +170,22 @@
|
|||||||
</code></pre>
|
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|
||||||
|
|
||||||
</article>
|
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|
||||||
|
|
||||||
|
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|
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<a href="https://quantumpackage.github.io/qp2/post/full-ci/" data-toggle="tooltip" data-placement="top" title="Full-CI calculation">Next Post →</a>
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@ -226,7 +242,7 @@
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|||||||
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|
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|
||||||
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|
||||||
<p class="credits theme-by text-muted">
|
<p class="credits theme-by text-muted">
|
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<a href="http://gohugo.io">Hugo v0.54.0</a> powered • Theme by <a href="http://deanattali.com/beautiful-jekyll/">Beautiful Jekyll</a> adapted to <a href="https://github.com/halogenica/beautifulhugo">Beautiful Hugo</a>
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|
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|
|
||||||
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|
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|
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|
||||||
|
@ -10,8 +10,8 @@
|
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<meta name="twitter:title" content="Posts" />
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<meta name="twitter:title" content="Posts" />
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<meta name="author" content=""/>
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<meta name="author" content=""/>
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<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
|
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
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<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
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<meta property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
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<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
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<meta name="twitter:creator" content="@quantum_package" />
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@ -19,7 +19,7 @@
|
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<meta property="og:type" content="website" />
|
<meta property="og:type" content="website" />
|
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<meta property="og:site_name" content="Quantum Package" />
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<meta property="og:site_name" content="Quantum Package" />
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<meta name="generator" content="Hugo 0.54.0" />
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<meta name="generator" content="Hugo 0.53" />
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<link rel="alternate" href="https://quantumpackage.github.io/qp2/index.xml" type="application/rss+xml" title="Quantum Package">
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<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
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<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.7.1/katex.min.css" integrity="sha384-wITovz90syo1dJWVh32uuETPVEtGigN07tkttEqPv+uR2SE/mbQcG7ATL28aI9H0" crossorigin="anonymous">
|
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@ -84,7 +84,7 @@
|
|||||||
<div class="avatar-img-border">
|
<div class="avatar-img-border">
|
||||||
|
|
||||||
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
|
<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" />
|
||||||
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|
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|
||||||
|
|
||||||
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|
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|
||||||
@ -268,7 +268,7 @@
|
|||||||
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|
</p>
|
||||||
|
|
||||||
<p class="credits theme-by text-muted">
|
<p class="credits theme-by text-muted">
|
||||||
<a href="http://gohugo.io">Hugo v0.54.0</a> powered • 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 • 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>
|
</p>
|
||||||
</div>
|
</div>
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||||||
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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="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=""/>
|
<meta name="author" content=""/>
|
||||||
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
|
<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 property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
|
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||||
<meta name="twitter:card" content="summary" />
|
<meta name="twitter:card" content="summary" />
|
||||||
<meta name="twitter:site" content="@quantum_package" />
|
<meta name="twitter:site" content="@quantum_package" />
|
||||||
<meta name="twitter:creator" content="@quantum_package" />
|
<meta name="twitter:creator" content="@quantum_package" />
|
||||||
@ -24,7 +24,7 @@
|
|||||||
<meta property="og:type" content="website" />
|
<meta property="og:type" content="website" />
|
||||||
<meta property="og:site_name" content="Quantum Package" />
|
<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="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="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">
|
<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">
|
<div class="avatar-img-border">
|
||||||
|
|
||||||
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
|
<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>
|
</a>
|
||||||
|
|
||||||
</div>
|
</div>
|
||||||
@ -203,6 +203,18 @@
|
|||||||
</code></pre>
|
</code></pre>
|
||||||
|
|
||||||
</article>
|
</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 →</a>
|
||||||
|
</li>
|
||||||
|
|
||||||
|
</ul>
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
</div>
|
</div>
|
||||||
</div>
|
</div>
|
||||||
</div>
|
</div>
|
||||||
@ -259,7 +271,7 @@
|
|||||||
</p>
|
</p>
|
||||||
|
|
||||||
<p class="credits theme-by text-muted">
|
<p class="credits theme-by text-muted">
|
||||||
<a href="http://gohugo.io">Hugo v0.54.0</a> powered • 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 • 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>
|
</p>
|
||||||
</div>
|
</div>
|
||||||
|
@ -14,7 +14,7 @@ pygmentCodeFences = true
|
|||||||
|
|
||||||
[Params]
|
[Params]
|
||||||
subtitle = "A programming environment for wave function methods"
|
subtitle = "A programming environment for wave function methods"
|
||||||
logo = "img/QP2_circle.png"
|
logo = "img/qp_box.png"
|
||||||
favicon = "favicon"
|
favicon = "favicon"
|
||||||
dateFormat = "January 2, 2006"
|
dateFormat = "January 2, 2006"
|
||||||
commit = false
|
commit = false
|
||||||
|
BIN
src/static/img/qp_box.png
Normal file
BIN
src/static/img/qp_box.png
Normal file
Binary file not shown.
After Width: | Height: | Size: 5.9 MiB |
@ -10,8 +10,8 @@
|
|||||||
<meta name="twitter:title" content="Tags" />
|
<meta name="twitter:title" content="Tags" />
|
||||||
<meta name="author" content=""/>
|
<meta name="author" content=""/>
|
||||||
<link href='https://quantumpackage.github.io/qp2/favicon' rel='icon' type='image/x-icon'/>
|
<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 property="og:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.png" />
|
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||||
<meta name="twitter:card" content="summary" />
|
<meta name="twitter:card" content="summary" />
|
||||||
<meta name="twitter:site" content="@quantum_package" />
|
<meta name="twitter:site" content="@quantum_package" />
|
||||||
<meta name="twitter:creator" content="@quantum_package" />
|
<meta name="twitter:creator" content="@quantum_package" />
|
||||||
@ -19,7 +19,7 @@
|
|||||||
<meta property="og:type" content="website" />
|
<meta property="og:type" content="website" />
|
||||||
<meta property="og:site_name" content="Quantum Package" />
|
<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="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="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">
|
<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">
|
<div class="avatar-img-border">
|
||||||
|
|
||||||
<a title="Quantum Package" href="https://quantumpackage.github.io/qp2">
|
<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>
|
</a>
|
||||||
|
|
||||||
</div>
|
</div>
|
||||||
@ -187,7 +187,7 @@
|
|||||||
</p>
|
</p>
|
||||||
|
|
||||||
<p class="credits theme-by text-muted">
|
<p class="credits theme-by text-muted">
|
||||||
<a href="http://gohugo.io">Hugo v0.54.0</a> powered • 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 • 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>
|
</p>
|
||||||
</div>
|
</div>
|
||||||
|
Loading…
Reference in New Issue
Block a user