Physics:DACAPO
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Short description: Quantum mechanical molecular dynamics computer code
 | This article needs attention from an expert in Science. (November 2008) |
DACAPO is an ab-initio quantum mechanical molecular dynamics (MD) code using pseudopotentials and a plane wave basis set. It has been developed at the institute of physics at the Technical University of Denmark. It is part of The CAMP Open Software project (CAMPOS).
Currently the Dacapo software must be used from the Atomic Simulation Environment of CAMd via the Jacapo interface.
See also
- Density functional theory
- Quantum chemistry computer programs
External links
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