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<h1 class="title">TREXIO source code documentation</h1>
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<ul class="org-ul">
<li><a href="./tutorial_benzene.html">Tutorial</a></li>
<li><a href="./trex.html">Data stored with TREXIO</a></li>
<li><a href="./examples.html">How-to guide</a></li>
<li><a href="./templator_front.html">Front end API</a></li>
<li><a href="./templator_hdf5.html">HDF5 back end</a></li>
<li><a href="./templator_text.html">TEXT back end</a></li>
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<p>
The TREXIO library defines a standard format for storing wave functions,
together with an C-compatible API such that it can be easily used in any
programming language.
</p>
<p>
The source code of the library is available at
<a href="https://github.com/trex-coe/trexio">https://github.com/trex-coe/trexio</a>
and bug reports should be submitted at
<a href="https://github.com/trex-coe/trexio/issues">https://github.com/trex-coe/trexio/issues</a>.
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<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.
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<p class="author">Author: TREX-CoE</p>
<p class="date">Created: 2022-09-29 Thu 11:40</p>
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