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Massively Parallel Quantum Chemistry (MPQC) computer software can compute closed shell and general restricted open shell Hartree-Fock energies and gradients, second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies, and second order closed shell Moller-Plesset perturbation theory energies and gradients. It also features a robust internal coordinate geometry optimizer that efficiently optimizes molecules with many degrees of freedom. MPQC runs on UNIX workstations (Intel, R8000, RS/6000), symmetric multiprocessors (SGI Power Challenge) and massively parallel machines (IBM SP2, Intel Paragon).

MPQC is implemented in the C++ and C programming languages. Included are C++ class libraries that are generally useful for scientific computing. For example, classes are available that read objects from an input file, manage memory references to objects, and save and restore the state of an object.

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