PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 12:23:43 +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/
22 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%
dcbce52da1
Go to file
Anthony Scemama dcbce52da1 Fixed Davidson
2019-01-27 21:58:36 +01:00
bin Fixing qp_export 2019-01-26 01:51:22 +01:00
config optimized gfortran configuration 2019-01-25 18:59:21 +01:00
data Initial commit 2019-01-25 11:39:31 +01:00
docs Included documentation 2019-01-25 14:54:38 +01:00
etc Fixing qp_export 2019-01-26 01:48:32 +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 Included documentation 2019-01-25 14:54:38 +01:00
ocaml Added missing gitignore files 2019-01-25 16:40:01 +01:00
plugins Added missing gitignore files 2019-01-25 16:40:01 +01:00
scripts Included documentation 2019-01-25 14:54:38 +01:00
share Added missing gitignore files 2019-01-25 16:40:01 +01:00
src Fixed Davidson 2019-01-27 21:58:36 +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 Initial commit 2019-01-25 11:39:31 +01:00
GITHUB.md README 2019-01-25 16:51:27 +01:00
INSTALL.rst Initial commit 2019-01-25 11:39:31 +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 Added external directory 2019-01-25 16:39:19 +01:00
REPLACE Initial commit 2019-01-25 11:39:31 +01:00
TODO Included documentation 2019-01-25 14:54:38 +01:00

README.md

Quantum Package

A programming environment for wave function methods

QP

Getting started

Build status

  • Master: master build status
  • Development branch : dev build status
  • Documentation [Doc Status

Credits