slackbuilds

History

Niels Horn b280c97d09 *: newest dep-fixes Signed-off-by: Niels Horn <niels.horn@slackbuilds.org>		2012-09-01 18:38:43 +02:00
..
README	academic/mpqc: Fixed dep information	2012-08-22 16:07:16 -05:00
mpqc-sclibdir_x86_64.patch	academic/mpqc: Added to 13.0 repository	2010-05-13 00:57:20 +02:00
mpqc.SlackBuild	academic/mpqc: Misc automated cleanups.	2010-06-04 00:59:15 -04:00
mpqc.info	*: newest dep-fixes	2012-09-01 18:38:43 +02:00
slack-desc	academic/mpqc: Added to 13.0 repository	2010-05-13 00:57:20 +02:00

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.