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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
J. Chem. Theory Comput. (2019)
https://arxiv.org/abs/1902.08154

Getting started

Build status

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

Credits

Description
Quantum Package : a programming environment for wave function methods
https://quantumpackage.github.io/qp2/
cipsiirpf90ocamlpost-hartrpost-hf
Readme AGPL-3.0 Cite this repository 80 MiB
Languages
Fortran 89.6%
OCaml 4.4%
Python 2.9%
C 1.6%
Shell 0.9%
Other 0.5%