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.
Maintained by: Daniil Bratashov
Keywords: mpqc,ab-initio,dft,Massively Parallel Quantum Chemistry Program,ghemical,mp2,opt2,zapt2
ChangeLog: mpqc
Homepage:
http://www.mpqc.org/
Download SlackBuild:
mpqc.tar.gz
mpqc.tar.gz.asc (FAQ)
(the SlackBuild does not include the source)
Individual Files: |
README |
mpqc-sclibdir_x86_64.patch |
mpqc.SlackBuild |
mpqc.info |
slack-desc |
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