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Added download link of tar.gz in documentation

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Anthony Scemama 2024-11-20 15:27:38 +01:00
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@ -19,6 +19,9 @@ and two different back-ends: a text back-end and a binary back-end utilizing
the HDF5 library enabling fast read and write speeds. It is compatible with a
variety of platforms and has interfaces for Fortran, Python, and OCaml.
TREXIO can be downloaded here:
https://github.com/TREX-CoE/trexio/releases/latest
If you use TREXIO, please cite this article published in the [[https://doi.org/10.1063/5.0148161][Journal of Chemical Physics]]:
#+begin_src latex
@article{trexio_2023,

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trex.org
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@ -259,7 +259,7 @@
constant for the primitive $ks$ needs to be computed and stored. If
this normalization factor is not required, $f_{ks}=1$.
Some codes assume that the basis function are normalized. This
Some codes assume that the basis functions are normalized. This
implies the computation of an extra normalization factor, $\mathcal{N}_s$.
If the the basis function is not considered normalized, $\mathcal{N}_s=1$.