ASAP - classical potentials for MD with ASE.
Project description
ASAP (Atomic SimulAtion Program or As Soon As Possible) is a package for large-scale molecular dynamics within the Atomic Simulation Environment (ASE). It implements a number of ‘classical’ potentials, most importantly the Effective Medium Theory, and also the mechanisms for domain-decomposition of the atoms.
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asap3-3.12.1.tar.gz
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