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Pierre-Francois Loos 9f4819bd25 GoInt
2019-03-13 10:17:20 +01:00
include
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input
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src
o file GONE
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utils
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GoDuck
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GoInt
GoInt
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PyDuck
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PyOptions.json
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PyOptions.template.json
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README.md
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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 24 MiB
Languages
Fortran 95.4%
Python 2%
Cuda 1.1%
C 0.9%
Shell 0.5%