4
1
mirror of https://github.com/pfloos/quack synced 2025-05-06 23:34:42 +02:00
Clotilde Marut 2b58358681 eDFT code OK
2021-12-16 21:42:58 +01:00
2021-10-15 21:01:56 +02:00
2019-07-15 13:52:45 +02:00
2021-12-16 21:42:58 +01:00
2020-10-13 20:59:03 +02:00
2019-05-08 09:13:11 +02:00
2020-10-14 08:22:48 +02:00
2020-10-14 15:07:35 +02:00
2019-05-08 09:15:46 +02:00
2021-10-13 09:50:18 +02:00
2021-11-06 14:36:54 +01:00
2021-12-16 21:42:58 +01:00
2020-10-14 15:07:35 +02:00
2020-10-08 10:12:14 +02:00
2021-10-15 22:32:22 +02:00
2020-10-19 13:57:56 +02:00
2020-06-04 18:35:51 +02:00
2020-10-14 08:22:48 +02:00
2021-10-13 14:14:15 +02:00

QuAcK

QuAcK is a small quantum chemistry package which does some weird stuff.

In particular, quack can perform

i) various types of GW calculations (G0W0, evGW, qsGW, etc).

ii) ensemble DFT calculations (under progress)

QuAcK also includes a very slow integral package called IntPak which does compute many types of different integrals.

Description
No description provided
Readme GPL-3.0 26 MiB
Languages
Fortran 95.4%
Python 2%
Cuda 1.1%
C 0.9%
Shell 0.5%