LCPQ/quack
4
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00
Code Releases Activity

Update README.md

Browse Source
This commit is contained in:
Pierre-Francois Loos 2023-07-18 09:07:50 +02:00 committed by GitHub
parent 608a62dd6a
commit 5705e5d29c
No known key found for this signature in database
GPG Key ID: 4AEE18F83AFDEB23
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 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