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QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
147 Commits 6 Branches 1 Tag 20 MiB
Fortran 95.7%
Python 2.5%
Shell 1.5%
C 0.2%
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Pierre-Francois Loos 9e3c3f9c89 eta in linear response
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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.