asap3
ASAP is a calculator for doing large-scale classical molecular dynamics within ASE.
ASAP is a calculator for doing large-scale classical molecular dynamics within ASE.
To install this package, run one of the following:
ASAP 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.
Summary
ASAP is a calculator for doing large-scale classical molecular dynamics within ASE.
Last Updated
Sep 17, 2021 at 12:56
License
LGPL-3.0-only
Total Downloads
571
Supported Platforms
GitHub Repository
https://gitlab.com/asap/asapDocumentation
https://wiki.fysik.dtu.dk/asap/Manual