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
712 Commits 5 Branches 1 Tag 22 MiB
Fortran 93.4%
Python 2.6%
Shell 1.5%
Cuda 1.4%
C 1%
b851d09c48
Go to file
Pierre-Francois Loos b851d09c48 GF2 BSE2 rename
2023-07-04 12:07:38 +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 remove SOSEX 2023-07-04 10:37:54 +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 GF2 BSE2 rename 2023-07-04 12:07:38 +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 README 2021-10-13 14:14:15 +02:00

README.md

QuAcK

QuAcK is a small quantum chemistry package which does some weird stuff.

In particular, quack can perform

  1. various types of GW calculations (G0W0, evGW, qsGW, etc).

  2. ensemble DFT calculations (under progress)

QuAcK also includes a very slow integral package called IntPak which does compute many types of different integrals.