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.

• Overview
• Download
• Compiling

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