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mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00

Merge branch 'master' of github.com:pfloos/QuAcK

This commit is contained in:
Pierre-Francois Loos 2023-07-18 09:20:15 +02:00
commit b4d96d1065

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@ -28,7 +28,8 @@ You must also install [PySCF](https://pyscf.org) (for example using `pip`)
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