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
MPQC requires blas and lapack libraries.
Unoptimized versions can be found at slackbuilds.org, atlas or
CPU vendor supported libraries can be used instead to achieve
Maintained by: Daniil Bratashov
Approved by: rworkman
Keywords: mpqc,ab-initio,dft,Massively Parallel Quantum Chemistry Program,ghemical,mp2,opt2,zapt2
(the SlackBuild does not include the source)