mirror of https://github.com/TREX-CoE/qmckl.git
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| qmckl_ao.html | ||
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| qmckl_context.html | ||
| qmckl_determinant.html | ||
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<a accesskey="h" href=""> UP </a>
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<h1 class="title">QMCkl source code documentation</h1>
<hr />
<ul class="org-ul">
<li><a href="./qmckl.html">Introduction</a></li>
<li><a href="./qmckl_context.html">Context</a></li>
<li><a href="./qmckl_error.html">Error handling</a></li>
<li><a href="./qmckl_blas.html">BLAS functions</a></li>
<li><a href="./qmckl_memory.html">Memory management</a></li>
<li><a href="./qmckl_numprec.html">Numerical precision</a></li>
<li><a href="./qmckl_point.html">Point</a></li>
<li><a href="./qmckl_nucleus.html">Nucleus</a></li>
<li><a href="./qmckl_electron.html">Electrons</a></li>
<li><a href="./qmckl_distance.html">Inter-particle distances</a></li>
<li><a href="./qmckl_ao.html">Atomic Orbitals</a></li>
<li><a href="./qmckl_mo.html">Molecular Orbitals</a></li>
<li><a href="./qmckl_determinant.html">Slater Determinant</a></li>
<li><a href="./qmckl_sherman_morrison_woodbury.html">Sherman-Morrison-Woodbury</a></li>
<li><a href="./qmckl_jastrow_champ.html">CHAMP Jastrow Factor</a></li>
<li><a href="./qmckl_local_energy.html">Local Energy</a></li>
<li><a href="./qmckl_trexio.html">TREXIO I/O library</a></li>
<li><a href="./qmckl_tests.html">Data for Tests</a></li>
<li><a href="./qmckl_verificarlo.html">Verificarlo CI</a></li>
<li><a href="./qmckl_examples.html">Code examples</a></li>
</ul>
<hr />
<p>
The ultimate goal of the QMCkl library is to provide a high-performance
implementation of the main kernels of Quantum Monte Carlo
methods.
In this particular implementation of the library, we focus on the
definition of the API and the tests, and on a <i>pedagogical</i>
presentation of the algorithms. We expect the HPC experts to use
this repository as a reference for re-writing optimized libraries.
</p>
<p>
The source code of the library is available at
<a href="https://github.com/trex-coe/qmckl">https://github.com/trex-coe/qmckl</a>
and bug reports should be submitted at
<a href="https://github.com/trex-coe/qmckl/issues">https://github.com/trex-coe/qmckl/issues</a>.
</p>
<hr />
<p>
<img src="https://trex-coe.eu/sites/default/files/inline-images/euflag.jpg" alt="euflag.jpg" /> <a href="https://trex-coe.eu">TREX: Targeting Real Chemical Accuracy at the Exascale</a> project has received funding from the European Union’s Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content.
</p>
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<p class="author">Author: TREX CoE</p>
<p class="date">Created: 2024-05-08 Wed 11:57</p>
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
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