mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:35:36 +01:00
| basis | ||
| bin | ||
| examples | ||
| include | ||
| input | ||
| int | ||
| lib | ||
| plot | ||
| src | ||
| utils | ||
| extract.sh | ||
| GoDuck | ||
| GoInt | ||
| GoQCaml | ||
| GoSph | ||
| GoXC | ||
| PyDuck | ||
| PyOptions.json | ||
| PyOptions.template.json | ||
| README.md | ||
| run_sph.sh | ||
| scan_Be2.sh | ||
| scan_H2.sh | ||
| scan_LiF.sh | ||
| scan_LiH.sh | ||
| scan_N2.sh | ||
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.