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301616ce3d
Signed-off-by: Robby Workman <rworkman@slackbuilds.org> |
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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.