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asap3 3.10.7

ASAP - classical potentials for MD with ASE.

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.

 
File Type Py Version Uploaded on Size
asap3-3.10.7.tar.gz (md5, pgp) Source 2017-10-06 782KB