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Pierre-Francois Loos e14e8ac278 R or U
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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.

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Readme GPL-3.0 22 MiB
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Fortran 93.4%
Python 2.6%
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C 1%