9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-12 22:53:29 +01:00
Quantum Package : a programming environment for wave function methods https://quantumpackage.github.io/qp2/
Go to file
Emmanuel Giner LCT cc578279e7 added rotate mos
2019-05-09 23:58:36 +02:00
bin added qp_set_frozen_large_core 2019-04-09 16:03:54 +02:00
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 added rotate mos 2019-05-09 23:58:36 +02:00
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 updated MO_label.mli 2019-04-17 17:32:07 +02:00
plugins Develop (#15) 2019-03-07 16:29:06 +01:00
scripts added check_sym 2019-04-26 17:31:15 +02:00
share Added missing gitignore files 2019-01-25 16:40:01 +01:00
src added rotate mos 2019-05-09 23:58:36 +02:00
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 2019-04-08 10:50:23 +02:00
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