- Name: mpqc
- Version: 2.1.2
- Release: 4mdk
- Epoch:
- Group: Sciences/Chemistry
- License: GPL
- Url: http://aros.ca.sandia.gov/%7Ecljanss/mpqc/
- Summary: Ab-inito chemistry program.
- Architecture: ppc
- Size: 14566508
- Distribution: Mandrake Linux
- Vendor: MandrakeSoft
- Packager: Olivier Thauvin <thauvin@aerov.jussieu.fr>
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.
- OptFlags: -O2 -fsigned-char -frename-registers -mcpu=750 -mtune=7450 -pipe
- Cookie: klama.mandrake.org 1046975108
- Buildhost: orion.nanardon
Sources packages:
Other version of this rpm:
