PTEROSOR/QuAcK
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QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
48 Commits 5 Branches 1 Tag 21 MiB
Fortran 93.4%
Python 2.6%
Shell 1.5%
Cuda 1.4%
C 1%
4c821fe4ac
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Pierre-Francois Loos 4c821fe4ac cleanup
2019-03-19 10:13:33 +01:00
include Fixing IntPak 2019-03-13 11:34:51 +01:00
input cleanup 2019-03-19 10:13:18 +01:00
src cleanup 2019-03-19 10:13:33 +01:00
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 cleanup 2019-03-19 10:13:18 +01:00
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 2019-02-07 22:55:24 +01:00

README.md

quack

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