slackbuilds_ponce/academic/mpqc
2010-05-13 00:57:20 +02:00
..
mpqc-sclibdir_x86_64.patch
mpqc.info
mpqc.SlackBuild
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.