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[ Källkod: mpqc3  ]

Paket: mpqc3-data (0.0~git20170114-4ubuntu1)

Massively Parallel Quantum Chemistry Program (data files)

MPQC3 is an ab-inito quantum chemistry program. It is especially designed to compute molecules in an explicitly-correlated fashion.

This package contains the basis sets.

Hämta mpqc3-data

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all 622,0 kbyte12443 kbyte [filförteckning]