slackbuilds_ponce/academic/mpqc
Erik Hanson 4248415dde Add REQUIRED field to .info files.
Signed-off-by: Erik Hanson <erik@slackbuilds.org>
2012-08-19 21:57:51 -05:00
..
mpqc-sclibdir_x86_64.patch
mpqc.info Add REQUIRED field to .info files. 2012-08-19 21:57:51 -05:00
mpqc.SlackBuild academic/mpqc: Misc automated cleanups. 2010-06-04 00:59:15 -04:00
README
slack-desc

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.

MPQC requires blas and lapack.