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@ -84,7 +84,7 @@
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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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</p>
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<p class="credits theme-by text-muted">
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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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<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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<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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@ -84,7 +84,7 @@
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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/qp_box.png" alt="Quantum Package" />
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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>
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@ -187,7 +187,7 @@
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</p>
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<p class="credits theme-by text-muted">
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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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<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>
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</div>
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BIN
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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="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 name="twitter:image" content="https://quantumpackage.github.io/qp2/img/QP2_circle.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:creator" content="@quantum_package" />
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@ -24,7 +24,7 @@ The determinant-driven framework allows the programmer to include any arbitrary
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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 name="generator" content="Hugo 0.53" />
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<meta name="generator" content="Hugo 0.54.0" />
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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="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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@ -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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
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||||
</a>
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||||
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||||
</div>
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||||
@ -248,7 +248,7 @@ Yann Garniron, Thomas Applencourt, Kevin Gasperich, Anouar Benali, Anthony Fert
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
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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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<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>
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
||||
@ -47,10 +47,10 @@
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||||
<author>quantum.package@gmail.com</author>
|
||||
<guid>https://quantumpackage.github.io/qp2/page/try/</guid>
|
||||
<description>You can try Quantum Package in the terminal below. To configure the terminal for your favorite text editor, set the EDITOR environment variable:
|
||||
export EDITOR=vim Browser not compatible.
|
||||
export EDITOR=vim You may need to tell your web browser you accept to load insecure scripts to see the terminal.
|
||||
Browser not compatible.
|
||||
Here is an example of a few commands you can run to get the Full-CI energy of the HCN molecule.
|
||||
First create a file named be.zmt containing the z-matrix of a Beryllium atom.
|
||||
echo be &gt; be.zmt Create the EZFIO database as follows:</description>
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||||
First create a file named be.</description>
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</item>
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<item>
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<meta name="twitter:title" content="Pages" />
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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:creator" content="@quantum_package" />
|
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@ -19,7 +19,7 @@
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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 name="generator" content="Hugo 0.53" />
|
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<meta name="generator" content="Hugo 0.54.0" />
|
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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">
|
||||
<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 @@
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||||
<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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
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||||
</a>
|
||||
|
||||
</div>
|
||||
@ -132,10 +132,10 @@
|
||||
<div class="post-entry">
|
||||
|
||||
You can try Quantum Package in the terminal below. To configure the terminal for your favorite text editor, set the EDITOR environment variable:
|
||||
export EDITOR=vim Browser not compatible.
|
||||
export EDITOR=vim You may need to tell your web browser you accept to load insecure scripts to see the terminal.
|
||||
Browser not compatible.
|
||||
Here is an example of a few commands you can run to get the Full-CI energy of the HCN molecule.
|
||||
First create a file named be.zmt containing the z-matrix of a Beryllium atom.
|
||||
echo be > be.zmt Create the EZFIO database as follows:
|
||||
First create a file named be.
|
||||
<a href="https://quantumpackage.github.io/qp2/page/try/" class="post-read-more">[Read More]</a>
|
||||
|
||||
</div>
|
||||
@ -229,7 +229,7 @@ echo be > be.zmt Create the EZFIO database as follows:
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
||||
<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>
|
||||
<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>
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
||||
@ -19,10 +19,10 @@
|
||||
<author>quantum.package@gmail.com</author>
|
||||
<guid>https://quantumpackage.github.io/qp2/page/try/</guid>
|
||||
<description>You can try Quantum Package in the terminal below. To configure the terminal for your favorite text editor, set the EDITOR environment variable:
|
||||
export EDITOR=vim Browser not compatible.
|
||||
export EDITOR=vim You may need to tell your web browser you accept to load insecure scripts to see the terminal.
|
||||
Browser not compatible.
|
||||
Here is an example of a few commands you can run to get the Full-CI energy of the HCN molecule.
|
||||
First create a file named be.zmt containing the z-matrix of a Beryllium atom.
|
||||
echo be &gt; be.zmt Create the EZFIO database as follows:</description>
|
||||
First create a file named be.</description>
|
||||
</item>
|
||||
|
||||
<item>
|
||||
|
||||
@ -9,22 +9,21 @@
|
||||
<meta property="og:title" content="QP terminal" />
|
||||
<meta name="twitter:title" content="QP terminal" />
|
||||
<meta name="description" content="You can try Quantum Package in the terminal below. To configure the terminal for your favorite text editor, set the EDITOR environment variable:
|
||||
export EDITOR=vim Browser not compatible.
|
||||
export EDITOR=vim You may need to tell your web browser you accept to load insecure scripts to see the terminal.
|
||||
Browser not compatible.
|
||||
Here is an example of a few commands you can run to get the Full-CI energy of the HCN molecule.
|
||||
First create a file named be.zmt containing the z-matrix of a Beryllium atom.
|
||||
echo be > be.zmt Create the EZFIO database as follows:">
|
||||
First create a file named be.">
|
||||
<meta property="og:description" content="You can try Quantum Package in the terminal below. To configure the terminal for your favorite text editor, set the EDITOR environment variable:
|
||||
export EDITOR=vim Browser not compatible.
|
||||
export EDITOR=vim You may need to tell your web browser you accept to load insecure scripts to see the terminal.
|
||||
Browser not compatible.
|
||||
Here is an example of a few commands you can run to get the Full-CI energy of the HCN molecule.
|
||||
First create a file named be.zmt containing the z-matrix of a Beryllium atom.
|
||||
echo be > be.zmt Create the EZFIO database as follows:">
|
||||
First create a file named be.">
|
||||
<meta name="twitter:description" content="You can try Quantum Package in the terminal below. To configure the terminal for your favorite text editor, set the EDITOR environment variable:
|
||||
export EDITOR=vim Browser not compatible.
|
||||
Here is an …">
|
||||
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/qp_box.png" />
|
||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||
<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 name="twitter:card" content="summary" />
|
||||
<meta name="twitter:site" content="@quantum_package" />
|
||||
<meta name="twitter:creator" content="@quantum_package" />
|
||||
@ -32,7 +31,7 @@ Here is an …">
|
||||
<meta property="og:type" content="website" />
|
||||
<meta property="og:site_name" content="Quantum Package" />
|
||||
|
||||
<meta name="generator" content="Hugo 0.53" />
|
||||
<meta name="generator" content="Hugo 0.54.0" />
|
||||
<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">
|
||||
@ -97,7 +96,7 @@ Here is an …">
|
||||
<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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
|
||||
</a>
|
||||
|
||||
</div>
|
||||
@ -152,7 +151,10 @@ set the <code>EDITOR</code> environment variable:</p>
|
||||
<pre><code>export EDITOR=vim
|
||||
</code></pre>
|
||||
|
||||
<p><iframe id="shellframe" src="https://www.lcpq.ups-tlse.fr/qpterm/" width="800" height="600" frameBorder="1" scrolling="no">Browser not compatible.</iframe>
|
||||
<p><strong>You may need to tell your web browser you accept to load insecure scripts to
|
||||
see the terminal</strong>.</p>
|
||||
|
||||
<p><iframe id="shellframe" src="http://irssv2.ups-tlse.fr/siab/" width="800" height="600" frameBorder="1" scrolling="no">Browser not compatible.</iframe>
|
||||
</body></p>
|
||||
|
||||
<p>Here is an example of a few commands you can run to
|
||||
@ -183,18 +185,6 @@ get the Full-CI energy of the HCN molecule.</p>
|
||||
<p>That’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">← Previous Post</a>
|
||||
</li>
|
||||
|
||||
|
||||
</ul>
|
||||
|
||||
|
||||
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
@ -251,7 +241,7 @@ get the Full-CI energy of the HCN molecule.</p>
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
||||
<a href="http://gohugo.io">Hugo v0.53</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>
|
||||
<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>
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
||||
@ -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/qp_box.png" />
|
||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||
<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 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 0.53" />
|
||||
<meta name="generator" content="Hugo 0.54.0" />
|
||||
<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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
|
||||
</a>
|
||||
|
||||
</div>
|
||||
@ -142,18 +142,6 @@
|
||||
</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 →</a>
|
||||
</li>
|
||||
|
||||
</ul>
|
||||
|
||||
|
||||
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
@ -210,7 +198,7 @@
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
||||
<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>
|
||||
<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>
|
||||
|
||||
</p>
|
||||
</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="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/qp_box.png" />
|
||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||
<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 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 0.53" />
|
||||
<meta name="generator" content="Hugo 0.54.0" />
|
||||
<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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
|
||||
</a>
|
||||
|
||||
</div>
|
||||
@ -194,18 +194,6 @@
|
||||
</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">← Previous Post</a>
|
||||
</li>
|
||||
|
||||
|
||||
</ul>
|
||||
|
||||
|
||||
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
@ -262,7 +250,7 @@
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
||||
<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>
|
||||
<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>
|
||||
|
||||
</p>
|
||||
</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="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/qp_box.png" />
|
||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||
<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 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 0.53" />
|
||||
<meta name="generator" content="Hugo 0.54.0" />
|
||||
<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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
|
||||
</a>
|
||||
|
||||
</div>
|
||||
@ -170,22 +170,6 @@
|
||||
</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">← 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 →</a>
|
||||
</li>
|
||||
|
||||
</ul>
|
||||
|
||||
|
||||
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
@ -242,7 +226,7 @@
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
||||
<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>
|
||||
<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>
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
||||
@ -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/qp_box.png" />
|
||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||
<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 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 0.53" />
|
||||
<meta name="generator" content="Hugo 0.54.0" />
|
||||
<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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
|
||||
</a>
|
||||
|
||||
</div>
|
||||
@ -268,7 +268,7 @@
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
||||
<a href="http://gohugo.io">Hugo v0.53</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>
|
||||
<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>
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
||||
@ -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/qp_box.png" />
|
||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||
<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 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 0.53" />
|
||||
<meta name="generator" content="Hugo 0.54.0" />
|
||||
<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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
|
||||
</a>
|
||||
|
||||
</div>
|
||||
@ -203,18 +203,6 @@
|
||||
</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 →</a>
|
||||
</li>
|
||||
|
||||
</ul>
|
||||
|
||||
|
||||
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
@ -271,7 +259,7 @@
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
||||
<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>
|
||||
<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>
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
||||
@ -14,7 +14,7 @@ pygmentCodeFences = true
|
||||
|
||||
[Params]
|
||||
subtitle = "A programming environment for wave function methods"
|
||||
logo = "img/qp_box.png"
|
||||
logo = "img/QP2_circle.png"
|
||||
favicon = "favicon"
|
||||
dateFormat = "January 2, 2006"
|
||||
commit = false
|
||||
|
||||
@ -15,7 +15,10 @@ set the ``EDITOR`` environment variable:
|
||||
export EDITOR=vim
|
||||
```
|
||||
|
||||
<iframe id="shellframe" src="https://www.lcpq.ups-tlse.fr/qpterm/" width="800" height="600" frameBorder="1" scrolling="no">Browser not compatible.</iframe>
|
||||
**You may need to tell your web browser you accept to load insecure scripts to
|
||||
see the terminal**.
|
||||
|
||||
<iframe id="shellframe" src="http://irssv2.ups-tlse.fr/siab/" width="800" height="600" frameBorder="1" scrolling="no">Browser not compatible.</iframe>
|
||||
</body>
|
||||
|
||||
|
||||
|
||||
Binary file not shown.
|
Before Width: | Height: | Size: 5.9 MiB |
@ -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/qp_box.png" />
|
||||
<meta name="twitter:image" content="https://quantumpackage.github.io/qp2/img/qp_box.png" />
|
||||
<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 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 0.53" />
|
||||
<meta name="generator" content="Hugo 0.54.0" />
|
||||
<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/qp_box.png" alt="Quantum Package" />
|
||||
<img class="avatar-img" src="https://quantumpackage.github.io/qp2/img/QP2_circle.png" alt="Quantum Package" />
|
||||
</a>
|
||||
|
||||
</div>
|
||||
@ -187,7 +187,7 @@
|
||||
</p>
|
||||
|
||||
<p class="credits theme-by text-muted">
|
||||
<a href="http://gohugo.io">Hugo v0.53</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>
|
||||
<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>
|
||||
|
||||
</p>
|
||||
</div>
|
||||
|
||||
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Reference in New Issue
Block a user