mirror of
https://gitlab.com/scemama/QCaml.git
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302 lines
11 KiB
HTML
302 lines
11 KiB
HTML
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// @license magnet:?xt=urn:btih:1f739d935676111cfff4b4693e3816e664797050&dn=gpl-3.0.txt GPL-v3-or-Later
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<script type="text/javascript">
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// @license magnet:?xt=urn:btih:1f739d935676111cfff4b4693e3816e664797050&dn=gpl-3.0.txt GPL-v3-or-Later
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/*]]>*///-->
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// @license-end
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<script type="text/javascript">
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// @license magnet:?xt=urn:btih:e95b018ef3580986a04669f1b5879592219e2a7a&dn=public-domain.txt Public Domain
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</head>
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<body>
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<div id="org-div-home-and-up">
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<a accesskey="h" href=""> UP </a>
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<a accesskey="H" href="index.html"> HOME </a>
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</div><div id="content">
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<h1 class="title">QCaml documentation</h1>
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<div id="orgde12e86" class="figure">
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<p><img src="./chamo_bg.png" alt="chamo_bg.png" width="400px" />
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</p>
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</div>
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<p>
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QCaml is an OCaml library for writing quantum chemistry codes.
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It is written using literate programming with org-mode.
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</p>
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<p>
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To use it interactively in the top level or in a Jupyter or org-mode
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notebook, use
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</p>
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<div class="org-src-container">
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<pre class="src src-ocaml"><span class="org-tuareg-font-lock-operator">#</span>require <span class="org-string">"qcaml.top"</span> <span class="org-tuareg-font-double-colon">;;</span>
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</pre>
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</div>
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<p>
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This loads all the sub-libraries provided with QCaml, and installs
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the pretty printers.
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</p>
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<p>
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<b>List of modules</b>
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</p>
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<ul class="org-ul">
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<li><a href="./ao.html">Ao</a></li>
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<li><a href="./common.html">Common</a></li>
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<li><a href="./gaussian_integrals.html">Gaussian integrals</a></li>
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<li><a href="./gaussian.html">Gaussian</a></li>
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<li><a href="./linear_algebra.html">Linear algebra</a></li>
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<li><a href="./mo.html">Mo</a></li>
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<li><a href="./operators.html">Operators</a></li>
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<li><a href="./particles.html">Particles</a></li>
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<li><a href="./perturbation.html">Perturbation</a></li>
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<li><a href="./qcaml.html">Qcaml</a></li>
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<li><a href="./simulation.html">Simulation</a></li>
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<li><a href="./top.html">Top</a></li>
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</ul>
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</div>
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<div id="postamble" class="status">
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<p class="author">Author: Anthony Scemama</p>
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<p class="date">Created: 2021-01-27 Wed 23:36</p>
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<p class="validation"><a href="https://validator.w3.org/check?uri=referer">Validate</a></p>
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</div>
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</body>
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</html>
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