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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/
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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
Getting started
Build status
- Master
- Development
- Documentation