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Pierre-Francois Loos 712faef334 cleaning up
2019-02-07 22:59:11 +01:00
include
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input
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src
cleaning up
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utils
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GoDuck
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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 21 MiB
Languages
Fortran 95.2%
Python 1.9%
Cuda 1.3%
C 1%
Shell 0.5%