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mpqc-2.3.1-13mdv2011.0.src.rpm

Description:

MPQC is the Massively Parallel Quantum Chemistry Program. It computes
properties of atoms and molecules from first principles using the time
independent Schrödinger equation. It runs on a wide range of architectures
ranging from individual workstations to symmetric multiprocessors to
massively parallel computers. Its design is object oriented, using the C++
programming language.

If you want to use this program on a distributed (parallel) network, you'll
also have to install the libmpich package.

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