---
name: "mpqcover"
section: "3"
platform: "linux"
package: "libsc-doc"
version: "2.2.2-3"
release: "Debian 3.1 (Sarge)"
platforms: ["linux"]
url: "https://new.carta.tech/mpqcover"
---

# mpqcover(3)

MPQC Overview The Massively Parallel Quantum Chemistry program (MPQC) computes the properties of molecules, ab initio, on a wide variety of computer architectures. MPQC 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 Moeller-Plesset perturbation theory energies and gradients. It also includes methods for optimizing molecules in either Cartesian or internal coordinates. MPQC is designed using object-oriented programming techniques and implemented in the C++ programming language.

## NAME

mpqcover - MPQC Overview The Massively Parallel Quantum Chemistry program (MPQC) computes the properties of molecules, *ab initio*, on a wide variety of computer architectures.

MPQC 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 Moeller-Plesset perturbation theory energies and gradients. It also includes methods for optimizing molecules in either Cartesian or internal coordinates.

MPQC is designed using object-oriented programming techniques and implemented in the C++ programming language.