MPQC is the Massively Parallel Quantum Chemistry Program. It computes
properties of atoms and molecules from first principles using the time
independent Schrödinger equation. It runs on a wide range of
architectures ranging from individual workstations to symmetric
multiprocessors to massively parallel computers. Its design is object
oriented, using the C++ programming language.
See also: mpqc-devel.
|mpqcrun||The mpqcrun program simplifies running MPQC.|
|scls||The scls program is used to list objects in checkpoint files.|
|scpr||The scpr program is used to print out objects in checkpoint files.|