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Welcome to ftp.nluug.nl Current directory: /pub/ftp/os/Linux/distr/salix/sbo/13.37/academic/mpqc/ |
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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. MPQC requires blas and lapack. |
Name Last modified Size
Parent Directory -
README 27-May-2010 00:00 304
mpqc-sclibdir_x86_64.patch 27-May-2010 00:00 595
mpqc.SlackBuild 16-Jun-2010 00:00 2.4K
mpqc.info 27-May-2010 00:00 283
slack-desc 27-May-2010 00:00 833
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