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mpqc-support

Massively Parallel Quantum Chemistry Program (support tools)

Description

MPQC is an ab-inito quantum chemistry program. It is especially designed to compute molecules in a highly parallelized fashion.

This package includes Perl modules to parse the output, Emacs-modes to facilitate editing mpqc files and molrender, a program to output the molecules in OOGL-format.

Homepage

http://www.mpqc.org


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