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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 academic/mpqc: Added to 13.0 repository 2010-05-13 00:57:20 +02:00
mpqc.info *: newest dep-fixes 2012-09-01 18:38:43 +02:00
mpqc.SlackBuild academic/mpqc: Misc automated cleanups. 2010-06-04 00:59:15 -04:00
README academic/mpqc: Fixed dep information 2012-08-22 16:07:16 -05:00
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.