PTEROSOR/QuAcK
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Pierre-Francois Loos 1d5ea165b1 Fixing up xcDFT
2019-03-13 12:06:10 +01:00
include
Fixing IntPak
2019-03-13 11:34:51 +01:00
input
Fixing IntPak
2019-03-13 11:34:51 +01:00
src
Fixing up xcDFT
2019-03-13 12:06:10 +01:00
utils
inital commit for quack
2019-02-07 22:49:12 +01:00
GoDuck
inital commit for quack
2019-02-07 22:49:12 +01:00
GoInt
GoInt
2019-03-13 10:17:20 +01:00
GoSph
inital commit for quack
2019-02-07 22:49:12 +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.

Description
QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
Readme GPL-3.0 22 MiB
Languages
Fortran 95.3%
Python 1.8%
Cuda 1.3%
C 1%
Shell 0.5%