mirror of
https://github.com/Ponce/slackbuilds
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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.