mirror of
https://github.com/pfloos/quack
synced 2024-10-15 04:21:57 +02:00
Merge branch 'master' of github.com:pfloos/QuAcK
This commit is contained in:
commit
b4d96d1065
@ -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
|
||||||
|
|
||||||
|
Loading…
Reference in New Issue
Block a user