mpqc-openmpi

Massively Parallel Quantum Chemistry Program (OpenMPI transitional package)

Description

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

This package merely depends on the main (MPI-enabled) mpqc package.

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Homepage

http://www.mpqc.org


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Install mpqc-openmpi