10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 20:34:58 +01:00
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/
Go to file
2019-04-08 10:44:54 -05:00
bin Cleaning code for qp_plugins download for git repo 2019-03-23 20:05:29 +01:00
config Develop (#15) 2019-03-07 16:29:06 +01:00
data Initial commit 2019-01-25 11:39:31 +01:00
docs Updated research.bib 2019-03-13 16:04:00 +01:00
etc Develop (#10) 2019-02-22 19:19:58 +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 Typo 2019-03-07 18:24:38 +01:00
ocaml Merge branch 'dev' into dev-lct 2019-03-21 00:14:17 +01:00
plugins Develop (#15) 2019-03-07 16:29:06 +01:00
scripts Fix bug when a blank space precedes program 2019-04-01 18:02:34 +02:00
share Added missing gitignore files 2019-01-25 16:40:01 +01:00
src add normalize_dm 2019-03-27 18:29:08 +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 Removed ocaml compiler version from configure (#37) 2019-04-08 10:44:54 -05:00
GITHUB.md Develop (#15) 2019-03-07 16:29:06 +01:00
INSTALL.rst Removed core 2019-03-13 15:49:57 +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 README 2019-03-13 09:44:46 +01:00
REPLACE Develop (#15) 2019-03-07 16:29:06 +01:00
TODO added swap_mos.irp.f 2019-03-11 12:22:44 +01:00

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