Miroirs/slackbuilds_ponce
1
0
Fork 0
mirror of https://github.com/Ponce/slackbuilds synced 2024-11-22 19:44:21 +01:00
Code Issues Projects Releases Packages Wiki Activity Actions
slackbuilds_ponce/academic/mpqc
History
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 academic/mpqc: Fixed dep information 2012-08-22 16:07:16 -05:00
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.