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Contents of README: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. |
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Parent Directory - README 29-Sep-2012 06:34 272 mpqc-sclibdir_x86_64.patch 27-May-2010 06:51 595 mpqc.SlackBuild 16-Jun-2010 00:00 2.4K mpqc.info 29-Sep-2012 06:34 281 slack-desc 27-May-2010 06:51 833
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