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
681 Commits 5 Branches 1 Tag 22 MiB
Fortran 93.4%
Python 2.6%
Shell 1.5%
Cuda 1.4%
C 1%
7598446ed8
Go to file
Antoine Marie 7598446ed8 openMP for GW bis
2023-03-14 14:12:19 +01:00
basis fix def2-tzvp* 2022-11-08 15:40:23 +01:00
bin bin dir 2019-07-15 13:52:45 +02:00
include regularized GF2 2021-12-17 13:36:26 +01:00
input fix bug in CCGW 2022-12-06 09:15:32 +01:00
int fix bug in CCGW 2022-12-06 09:15:32 +01:00
lib add lib directory 2019-05-08 09:13:11 +02:00
libxc-tools fix ninja 2020-10-14 08:22:48 +02:00
mol BeO 2022-11-29 16:01:02 +01:00
numgrid-tools numgrid install problem 2022-10-20 16:20:59 +02:00
plot add directories 2019-05-08 09:15:46 +02:00
qcaml-tools Typo 2021-10-13 09:50:18 +02:00
scripts fix print in CCSD 2021-11-06 14:36:54 +01:00
src openMP for GW bis 2023-03-14 14:12:19 +01:00
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
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.