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MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation. It runs on a wide range of architectures ranging from individual workstations to symmetric multiprocessors to massively parallel computers. Its design is object oriented, using the C++ programming language.

Current Version:   1.1.3

License Type:   GPL

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Source Code Availability:   Yes

Available Binary Packages:

  • Debian Package:   No
  • RedHat RPM Package:   No
  • Other Packages:   No

Targeted Platforms:

Unix Workstations (Intel/Linux, RS/6000, SGI/IRIX), Symmetric Multi-processors (Intel/Linux, SGI/IRIX), Massively parallel (IBM SP2, Intel Paragon)

Software/Hardware Requirements:


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