LCPQ/quack

mirror of https://github.com/pfloos/quack synced 2024-06-02 03:15:31 +02:00

Go to file

Pierre-Francois Loos 3e966fb8d0 Update README.md		2023-07-10 19:59:29 +02:00
bin	bin dir	2019-07-15 13:52:45 +02:00
include	remove qcaml for pyscf	2023-07-03 14:33:48 +02:00
input	add dynamic BSE2@GW	2023-07-10 14:50:16 +02:00
int	trying to fix diverging version	2023-06-30 16:47:26 +02:00
lib	add lib directory	2019-05-08 09:13:11 +02:00
mol	trying to fix diverging version	2023-06-30 16:47:26 +02:00
scripts	fix print in CCSD	2021-11-06 14:36:54 +01:00
src	add dynamic BSE2@GW	2023-07-10 14:50:16 +02:00
utils	remove examples dir	2020-10-14 15:07:35 +02:00
.gitignore	Setup QCaml	2020-10-08 10:12:14 +02:00
GoHu	debugging BSE@GT	2021-10-15 22:32:22 +02:00
INSTALL.txt	FC for MP3	2020-10-19 13:57:56 +02:00
LICENSE	Create LICENSE	2020-06-04 18:35:51 +02:00
Makefile	fix ninja	2020-10-14 08:22:48 +02:00
PyDuck.py	remove qcaml for pyscf	2023-07-03 14:33:48 +02:00
README.md	Update README.md	2023-07-10 19:59:29 +02:00

QuAcK

Contributors: - Pierre-Francois Loos - Enzo Monino - Antoine Marie - Anthony Scemama

What is it?

The QuAcK software can be downloaded on GitHub as a Git repository

git clone https://github.com/pfloos/QuAcK.git

Then, one must define the variable QUACK_ROOT and install PySCF using pip

pip install pyscf

PySCF is used for the computation of one- and two-electron integrals.