4
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
Go to file
2021-12-16 14:24:02 +01:00
basis OK for Hubbard 2021-10-15 21:01:56 +02:00
bin bin dir 2019-07-15 13:52:45 +02:00
include curvature corrected functional revisited 2021-11-24 10:25:48 +01:00
input regularized MP2 2021-12-16 14:24:02 +01:00
int int directory 2020-10-13 20:59:03 +02:00
lib add lib directory 2019-05-08 09:13:11 +02:00
libxc-tools fix ninja 2020-10-14 08:22:48 +02:00
mol ppURPA 2021-12-15 11:41:06 +01:00
numgrid-tools remove examples dir 2020-10-14 15:07:35 +02:00
plot add directories 2019-05-08 09:15:46 +02:00
qcaml-tools Typo 2021-10-13 09:50:18 +02:00
scripts fix print in CCSD 2021-11-06 14:36:54 +01:00
src regularized MP2 2021-12-16 14:24:02 +01:00
utils remove examples dir 2020-10-14 15:07:35 +02:00
.gitignore Setup QCaml 2020-10-08 10:12:14 +02:00
GoHu debugging BSE@GT 2021-10-15 22:32:22 +02:00
INSTALL.txt FC for MP3 2020-10-19 13:57:56 +02:00
LICENSE Create LICENSE 2020-06-04 18:35:51 +02:00
Makefile fix ninja 2020-10-14 08:22:48 +02:00
README.md README 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

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

  2. ensemble DFT calculations (under progress)

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