LCPQ/quack
4
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
Code Releases Activity

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

Browse Source
This commit is contained in:
Pierre-Francois Loos 2023-07-18 09:20:15 +02:00
commit b4d96d1065
1 changed files with 2 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
README.md
View File

@ -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