PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-14 10:03:47 +01:00
Code Releases Activity
Open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected CI methods and multi-reference PT2. https://quantumpackage.github.io/qp2/
119 Commits 30 Branches 18 Tags 61 MiB
Fortran 89.6%
OCaml 4.4%
Python 2.9%
C 1.6%
Shell 0.9%
Other 0.5%
5ae479bc8c
Go to file
Anthony Scemama 5ae479bc8c Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop
2019-03-07 15:21:31 +01:00
bin Merge develop-toto and manus (#12) 2019-03-06 14:12:55 +01:00
config Merge develop-toto and manus (#12) 2019-03-06 14:12:55 +01:00
data Initial commit 2019-01-25 11:39:31 +01:00
docs Contributors 2019-03-07 15:12:02 +01:00
etc Fixed completion in qp_create 2019-02-11 10:45:16 +01:00
external Added error messages in davidson slave 2019-01-25 17:02:44 +01:00
include Initial commit 2019-01-25 11:39:31 +01:00
lib Added missing gitignore files 2019-01-25 16:40:01 +01:00
man Contributors 2019-03-07 15:12:02 +01:00
ocaml Changed python into python2 2019-03-07 14:12:47 +01:00
plugins Merge develop-toto and manus (#12) 2019-03-06 14:12:55 +01:00
scripts Update e_xc_new_func.irp.f 2019-02-21 10:05:57 +01:00
share Added missing gitignore files 2019-01-25 16:40:01 +01:00
src Contributors 2019-03-07 15:12:02 +01:00
tests Initial commit 2019-01-25 11:39:31 +01:00
.gitattributes Initial commit 2019-01-25 11:39:31 +01:00
.gitignore Initial commit 2019-01-25 11:39:31 +01:00
.travis.yml Added external directory 2019-01-25 16:39:19 +01:00
CITATION.cff Initial commit 2019-01-25 11:39:31 +01:00
configure Merge develop-toto and manus (#12) 2019-03-06 14:12:55 +01:00
GITHUB.md Update GITHUB.md 2019-03-07 15:22:01 +01:00
INSTALL.rst Merge branch 'develop' into develop-manus 2019-02-21 09:33:21 +01:00
LICENSE Initial commit 2019-01-25 11:39:31 +01:00
Makefile Initial commit 2019-01-25 11:39:31 +01:00
quantum_package.rc Initial commit 2019-01-25 11:39:31 +01:00
README.md Update README.md 2019-03-07 15:10:30 +01:00
REPLACE Merge develop-toto and manus (#12) 2019-03-06 14:12:55 +01:00
TODO Merge develop-toto and manus (#12) 2019-03-06 14:12:55 +01:00

README.md

Quantum Package 2.0

Quantum package 2.0: an open-source determinant-driven suite of programs
Y. Garniron, K. Gasperich, T. Applencourt, A. Benali, A. Ferté, J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P. Barbaresco, N. Renon, G. David, J. P. Malrieu, M. Véril, M. Caffarel, P. F. Loos, E. Giner and A. Scemama
https://arxiv.org/abs/1902.08154

QP

Getting started

Build status

  • Master master build status
  • Development dev build status
  • Documentation Documentation Status

Credits