Go to file
Pierre-Francois Loos de7e7aebf3 bin dir 2019-07-15 13:52:45 +02:00
bin bin dir 2019-07-15 13:52:45 +02:00
examples basis correction 2019-07-09 16:17:10 +02:00
include debugging 2019-04-29 09:43:33 +02:00
input ECMD 2019-07-15 12:07:54 +02:00
int add directories 2019-05-08 09:15:46 +02:00
lib add lib directory 2019-05-08 09:13:11 +02:00
plot add directories 2019-05-08 09:15:46 +02:00
src ECMD 2019-07-15 12:07:54 +02:00
utils inital commit for quack 2019-02-07 22:49:12 +01:00
GoDuck cleanup 2019-03-19 10:13:18 +01:00
GoInt GoInt 2019-03-13 10:17:20 +01:00
GoSph sph ready 2019-05-07 22:55:36 +02:00
GoXC basis correction 2019-07-09 16:17:10 +02:00
PyDuck inital commit for quack 2019-02-07 22:49:12 +01:00
PyOptions.json inital commit for quack 2019-02-07 22:49:12 +01:00
PyOptions.template.json inital commit for quack 2019-02-07 22:49:12 +01:00
README.md Update README.md 2019-03-19 11:39:55 +01:00
extract_sph.sh sph ready 2019-05-07 22:55:36 +02:00
run_sph.sh sph ready 2019-05-07 22:55:36 +02:00

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.