mirror of
https://github.com/Ponce/slackbuilds
synced 2024-11-26 22:06:35 +01:00
5 lines
272 B
Text
5 lines
272 B
Text
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.
|