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slackbuilds_ponce/academic/mpqc
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David Somero 77efd920aa academic/mpqc: Fixed for bash4.
2010-05-19 02:30:40 -04:00
..
mpqc-sclibdir_x86_64.patch academic/mpqc: Added to 13.0 repository 2010-05-13 00:57:20 +02:00
mpqc.info academic/mpqc: Added to 13.0 repository 2010-05-13 00:57:20 +02:00
mpqc.SlackBuild academic/mpqc: Fixed for bash4. 2010-05-19 02:30:40 -04:00
README academic/mpqc: Added to 13.0 repository 2010-05-13 00:57:20 +02:00
slack-desc academic/mpqc: Added to 13.0 repository 2010-05-13 00:57:20 +02:00

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.