LCPQ/quack
4
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
Code Releases Activity
393 Commits 5 Branches 1 Tag 22 MiB
Fortran 93.4%
Python 2.6%
Shell 1.5%
Cuda 1.4%
C 1%
bad6a5a51f
Go to file
Pierre-Francois Loos bad6a5a51f merge eDFT in QuAcK
2020-10-14 09:44:03 +02:00
basis unrestricted ACFDT 2020-10-07 18:26:24 +02:00
bin bin dir 2019-07-15 13:52:45 +02:00
examples mol 2020-10-13 21:10:49 +02:00
include S^2 spin flip almost OK 2020-10-05 23:00:56 +02:00
input merge eDFT in QuAcK 2020-10-14 09:44:03 +02:00
int int directory 2020-10-13 20:59:03 +02:00
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 xyz files 2020-10-12 14:30:00 +02:00
plot add directories 2019-05-08 09:15:46 +02:00
qcaml-tools install libxc 2020-10-12 14:25:30 +02:00
scripts correction of EA sign and added Fundamental Gap in the print 2020-07-09 10:44:19 +02:00
src merge eDFT in QuAcK 2020-10-14 09:44:03 +02:00
utils int directory 2020-10-13 20:59:03 +02:00
.gitignore Setup QCaml 2020-10-08 10:12:14 +02:00
GoDuck int directory 2020-10-13 20:59:03 +02:00
GoInt GoInt 2019-03-13 10:17:20 +01:00
GoQCaml beyond TDA for dynamic BSE 2020-05-20 16:46:07 +02:00
GoSph sph ready 2019-05-07 22:55:36 +02:00
GoXC revive eDFT code 2020-03-14 23:00:44 +01:00
INSTALL.txt dfac 2020-10-14 08:41:01 +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 Update README.md 2019-03-19 11:39:55 +01:00

README.md

QuAcK

QuAcK is a small quantum chemistry package which does some weird stuff. In particular, quack can performed i) various types of GW calculations (G0W0, evGW, qsGW, etc). ii) ensemble DFT calculations (under progress) QuAcK also include a very slow integral package called IntPak which does compute many types of different integrals.