LCPQ/quack
4
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00
Code Releases Activity
696 Commits 5 Branches 1 Tag 22 MiB
Fortran 93.4%
Python 2.6%
Shell 1.5%
Cuda 1.4%
C 1%
a8a8218798
Go to file
pfloos a8a8218798 ok with ehGT
2023-06-29 20:46:47 +02:00
basis fix def2-tzvp* 2022-11-08 15:40:23 +01:00
bin bin dir 2019-07-15 13:52:45 +02:00
include save file before pull 2023-04-20 17:00:34 +02:00
input ok with ehGT 2023-06-29 20:46:47 +02:00
int bug in ufGW and ufG0W0 2023-04-12 21:41:30 +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 ok with ehGT 2023-06-29 20:46:47 +02:00
numgrid-tools numgrid install problem 2022-10-20 16:20:59 +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 ok with ehGT 2023-06-29 20:46:47 +02:00
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

README.md

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.