- Name: mpqc
- Version: 2.2.2
- Release: 1mdk
- Epoch:
- Group: Sciences/Chemistry
- License: GPL
- Url: http://aros.ca.sandia.gov/%7Ecljanss/mpqc/
- Summary: Ab-inito chemistry program.
- Architecture: i586
- Size: 5302267
- Distribution: Mandrakelinux
- Vendor: Mandrakesoft
- Packager: Lenny Cartier <lenny@mandrakesoft.com>
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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- Buildhost: n1.mandrakesoft.com
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