ASAP is a calculator for doing large-scale classical molecular dynamics within ASE.
copied from cf-staging / asap3ASAP is a tool for doing atomic-scale computer simulations (mainly molecular dynamics) using classical potentials (mainly Effective Medium Theory). It is intended to work as an energy calculator in connection with the Atomic Simulation Environment (ASE). However, some parts of the ASE are either extended or reimplemented for reasons of efficiency and ease-of-use on parallel computers.
