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[ Source: mpqc3  ]

Package: mpqc3-data (0.0~git20160216-3b2)

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Experimental package

Warning: This package is from the staging distribution. That means it is likely unstable or buggy, and it may even cause data loss. Please be sure to consult the changelog and other possible documentation before using it. The package will automatically migrate to the current development distribution, when it has been tested.

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 635.6 kB12,446.0 kB [list of files]