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
469 Commits 5 Branches 1 Tag 22 MiB
Fortran 93.4%
Python 2.6%
Shell 1.5%
Cuda 1.4%
C 1%
114ac2d1d1
Go to file
Pierre-Francois Loos 114ac2d1d1 debug qsGW and qsGF
2021-03-27 15:03:54 +01:00
basis clean up basis sets 2020-10-26 14:52:11 +01:00
bin bin dir 2019-07-15 13:52:45 +02:00
include Vxc in GW 2021-02-15 17:27:06 +01:00
input debug qsGW and qsGF 2021-03-27 15:03:54 +01:00
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 debug qsGW and qsGF 2021-03-27 15:03:54 +01:00
numgrid-tools remove examples dir 2020-10-14 15:07:35 +02:00
plot add directories 2019-05-08 09:15:46 +02:00
qcaml-tools Synchronized with QCaml 2020-10-19 18:43:08 +02:00
scripts clean up 2020-10-14 23:31:14 +02:00
src debug qsGW and qsGF 2021-03-27 15:03:54 +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
GoDuck UPBE 2021-02-26 09:55:10 +01:00
GoInt GoInt 2019-03-13 10:17:20 +01:00
GoSph sph ready 2019-05-07 22:55:36 +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 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.