Last Updated 17 December 1999

CHSSI CCM Software Developed Under the Auspices of the DoD HPCMO, T. Dunn, Director

This is a partial list of software available from Computational Chemistry and Materials Science (CCM) CTA as its contribution to the Common HPC Software Support Initiative (CHSSI).

• CCM-1
  • DoD-Planewave: A General Scalable Density Functional Code
  • Adaptive Coordinate Real-space Electronic Structure code (ACRES)
• CCM-2
  • General Atomic and Molecular Electronic Structure System (GAMESS), a general ab initio quantum chemistry package
• CCM-3
  • Tight-Binding parameters for the Elements
  • A fitting code for developing Tight-Binding parameters from First-Principles data.
  • static, a tight-binding total energy and electronic structure code
  • TBMD, a Parallel Tight Binding Molecular Dynamics code for metals