CPMD: Difference between revisions
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Carl McBride (talk | contribs) m (A little more detail.) |
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[http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of | [http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of | ||
[[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics |molecular dynamics]]. | [[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics |molecular dynamics]]. | ||
CPMD is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organizations. | |||
==References== | |||
[[Category: Materials modelling and computer simulation codes]] | [[Category: Materials modelling and computer simulation codes]] | ||
Revision as of 13:42, 5 September 2008
Carr-Parrinello Molecular Dynamics is a parallelized plane wave/pseudopotential implementation of density-functional theory, particularly designed for ab-initio molecular dynamics. CPMD is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organizations.