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[ Source: mpqc3  ]

Package: mpqc3-data (0.0~git20170114-4.1)

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Massively Parallel Quantum Chemistry Program - datafiler

MPQC3 er et ab-inito kvantekemi program. Det er specielt designet til at beregne molekyler på en eksplicit korreleret måde.

Denne pakke indeholder basissættene.

Download mpqc3-data

Download for all available architectures
Architecture Package Size Installed Size Files
all 625.5 kB12,447.0 kB [list of files]