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Paketti: 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.

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all 622.0 kt12443 kt [tiedostoluettelo]