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Pierre-Francois Loos 2023-07-18 09:07:50 +02:00 committed by GitHub
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@ -28,7 +28,8 @@ You must also install [PySCF](https://pyscf.org) (for example using `pip`)
pip install pyscf pip install pyscf
``` ```
PySCF is used for the computation of one- and two-electron integrals (mainly). PySCF is used for the computation of one- and two-electron integrals (mainly) which are dumped in files and read by QuAcK.
Therefore, it is very easy to use other software to compute the integrals or to add other types of integrals.
# Quick start # Quick start