The Massively Parallel Quantum Chemistry Program (MPQC)
The Massively Parallel Quantum Chemistry (MPQC) platform is a research package for ab initio simulation of the electronic structure of molecules and periodic solids, with primary focus on many-body electronic structure methods, such as coupled-cluster.
The current (4th) version of the package, sometimes referred to as MPQC4, is a modern reenvisioning of the conceptual design of the original MPQC platform using the massively-parallel tensor framework TiledArray, distributed task-based programming model and runtime MADWorld, and the Gaussian integrals library Libint.
MPQC runs on Unix shared-memory and distributed-memory parallel computers.
MPQC is freely available under the terms of the GPL v3+ licence. See CITATION for details. If you are interested in using MPQC under different licensing terms, please contact us.