Miroirs/slackbuilds_ponce
1
0
Fork 0
mirror of https://github.com/Ponce/slackbuilds synced 2024-09-29 17:37:55 +02:00
Code Issues Projects Releases Packages Wiki Activity Actions
slackbuilds_ponce/academic/mpqc
History
David Somero 3ae57df6a5 academic/mpqc: Misc automated cleanups. 
Signed-off-by: David Somero <xgizzmo@slackbuilds.org>
2010-06-04 00:59:15 -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: Misc automated cleanups. 2010-06-04 00:59:15 -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.