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[ Source: mpqc3  ]

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

Links for mpqc3-data


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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.

Download mpqc3-data

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