Paket: psi4-data (1:1.1-5)
Länkar för psi4-data
Trisquelresurser:
Hämta källkodspaketet psi4:
Ansvarig:
Original Maintainers:
- Debichem Team (E-postarkiv)
- Michael Banck
- Graham Inggs
Externa resurser:
- Hemsida [www.psicode.org]
Liknande paket:
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.
Hämta psi4-data
Arkitektur | Paketstorlek | Installerad storlek | Filer |
---|---|---|---|
all | 3.571,1 kbyte | 56281 kbyte | [filförteckning] |