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Pierre-Francois Loos bad6a5a51f merge eDFT in QuAcK
2020-10-14 09:44:03 +02:00
basis unrestricted ACFDT 2020-10-07 18:26:24 +02:00
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README.md Update README.md 2019-03-19 11:39:55 +01:00

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.