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slackbuilds_ponce/academic/mpqc
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Niels Horn b280c97d09 *: newest dep-fixes 
Signed-off-by: Niels Horn <niels.horn@slackbuilds.org>
2012-09-01 18:38:43 +02:00
..
mpqc-sclibdir_x86_64.patch
mpqc.info *: newest dep-fixes 2012-09-01 18:38:43 +02:00
mpqc.SlackBuild
README
slack-desc

README 

MPQC is the Massively Parallel Quantum Chemistry Program.
It computes properties of atoms and molecules from first principles
using the time independent Schrödinger equation. Methods supported
are: HF, MP2 AND DFT for energies and gradients, OPT2 and ZAPT2
for energies.