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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/
30 Commits 29 Branches 18 Tags 57 MiB
Fortran 89.6%
OCaml 4.6%
Python 3%
C 1.2%
Shell 0.9%
Other 0.6%
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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