MPQC  2.3.1
The Massively Parallel Quantum Chemistry Program (MPQC) and the Scientific Computing Toolkit (SC)

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

The Scientific Computing toolkit (SC) provides C++ class libraries for scientific computation. Included are classes for managing memory, saving and restoring the state of objects, reading objects from an input file, parallel communication, matrix algebra, among others.

Command Reference

Developer's Reference

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