MPQC 2.3.1

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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.

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# Command Reference

- mpqc
- mpqcrun
- scpr
- scls
- molrender
- sc-config
- sc-libtool
- sc-mkf77sym

# Developer's Reference

- Developing Code Using SC
- The Source Tree
- The Reference Library
- The Described Class Library
- The State Library
- The KeyVal Library
- The Group Library
- The Matrix Library
- The Symmetry Library