[ Bron: psi4 ]
Pakket: psi4-data (1:1.1-5)
Verwijzigingen voor psi4-data
Trisquel bronnen:
Het bronpakket psi4 downloaden:
Beheerder:
Original Maintainers:
- Debichem Team (Mailarchief)
- Michael Banck
- Graham Inggs
Externe bronnen:
- Homepage [www.psicode.org]
Vergelijkbare pakketten:
Quantum Chemical Program Suite (data files)
PSI4 is an ab-initio quantum chemistry program. It is especially designed to accurately compute properties of small to medium molecules using highly correlated techniques. PSI4 is the parallelized successor of PSI3 and includes many state-of-the-art theoretical methods.
This package contains data files and the HTML documentation.