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.
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)