slackbuilds_ponce/academic/mpqc
Robby Workman 301616ce3d academic/mpqc: Fixed dep information
Signed-off-by: Robby Workman <rworkman@slackbuilds.org>
2012-08-22 16:07:16 -05:00
..
mpqc-sclibdir_x86_64.patch
mpqc.info
mpqc.SlackBuild
README academic/mpqc: Fixed dep information 2012-08-22 16:07:16 -05:00
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.