LCPQ
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quack
mirror of https://github.com/pfloos/quack
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Pierre-Francois Loos 3246143355 Ec AC 2020-01-08 10:17:19 +01:00
bin bin dir 2019-07-15 13:52:45 +02:00
examples Ec AC 2020-01-08 10:17:19 +01:00
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utils inital commit for quack 2019-02-07 22:49:12 +01:00
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GoSph sph ready 2019-05-07 22:55:36 +02:00
GoXC basis correction 2019-07-09 16:17:10 +02:00
PyDuck inital commit for quack 2019-02-07 22:49:12 +01:00
PyOptions.json eta parameter 2019-09-22 21:15:53 +02:00
PyOptions.template.json eta parameter 2019-09-22 21:15:53 +02:00
README.md Update README.md 2019-03-19 11:39:55 +01:00
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scan_H2.sh Ec AC 2020-01-08 10:17:19 +01:00
scan_LiF.sh scan diatomics 2019-09-23 18:36:55 +02:00
scan_LiH.sh scan diatomics 2019-09-23 18:36:55 +02:00
scan_N2.sh fix bug in evGW for BSE Ec 2019-10-01 14:53:36 +02:00

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.