LCPQ
/
quack
mirror of https://github.com/pfloos/quack
4
1
Fork 0
Code Releases Activity
422 Commits 5 Branches 1 Tag 18 MiB
Fortran 96.3%
Shell 1.8%
Python 1.6%
C 0.2%
Go to file
Anthony Scemama 1b0f8b280e Typo 2021-10-13 09:50:18 +02:00
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 S^2 spin flip almost OK 2020-10-05 23:00:56 +02:00
input BCCD start 2021-01-05 15:51:52 +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 BCCD start 2021-01-05 15:51:52 +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 Typo 2021-10-13 09:50:18 +02:00
scripts clean up 2020-10-14 23:31:14 +02:00
src FB 2021-01-05 16:29:25 +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 Typo 2021-10-13 09:50:18 +02:00
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.