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QuantumPackage/page/index.html
Anthony Scemama ee9ccde67e Update
2019-07-09 16:02:36 +02:00

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<a title="Tutorials" href="https://quantumpackage.github.io/qp2/page/tutorials">Tutorials</a>
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<a title="Documentation" href="https://quantum-package.readthedocs.io">Documentation</a>
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<a title="Try in the browser" href="https://quantumpackage.github.io/qp2/page/try">Try in the browser</a>
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<a href="https://quantumpackage.github.io/qp2/page/try/">
<h2 class="post-title">QP terminal</h2>
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Posted on January 23, 2019
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<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.
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:
<a href="https://quantumpackage.github.io/qp2/page/try/" class="post-read-more">[Read More]</a>
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<a href="https://quantumpackage.github.io/qp2/page/tutorials/">
<h2 class="post-title">Video Tutorials</h2>
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<p class="post-meta">
Posted on January 23, 2019
</p>
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<hr />
<ul>
<li><a href="https://quantumpackage.github.io/qp2/post/installation">Installation</a></li>
<li><a href="https://quantumpackage.github.io/qp2/post/hartree-fock">Hartree-Fock</a></li>
<li><a href="https://quantumpackage.github.io/qp2/post/full-ci">Full-CI</a></li>
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&nbsp;&bull;&nbsp;
2019
&nbsp;&bull;&nbsp;
<a href="https://quantumpackage.github.io/qp2">Quantum Package</a>
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