ASAP - As Soon As Possible¶
ASAP is a calculator for doing large-scale classical molecular dynamics within the Atomic Simulation Environment (ASE).
Asap now supports Python 3.8 or later. Asap can now be installed with
pip install asap3.
ASAP currently implements:
The Effective Medium Theory (Effective Medium Theory (EMT)) potential for the elements Ni, Cu, Pd, Ag, Pt and Au (and their alloys). There is also experimental support for CuMg and CuZr alloys.
A number of experimental or in-development potentials.
ASAP supports simulations on parallel clusters. Simulations with hundreds of CPU cores are possible with little overhead.
Information for users at DTU¶
How to run Asap on Niflheim.
ASAP stands for As Soon As Possible, reflecting that simulations with Asap should be fast and flexible, so you get the result as soon as possible. New features should be implemented as soon as possible, but not before they are needed.
An alternate interpretation of ASAP is “Accelerated Simulations and Potentials (for the Atomic Simulation Environment)”.
News (see also the Change log)¶
Version 3.12.2 released 20. october 2023. Fix broken OpenKIM installation in version 3.12.1. Allow more than 2 billion atoms in parallel simulations.
Version 3.13.1 released 20. June 2023. More robust installation. Docs in Sphinx / readthedocs.io.
Version 3.12.12 released 4 October 2022. Fix compatibility with ASE master branch and newest numpy.
Version 3.12.8 released 28. April 2021. Fix installation issue. If 3.12.7 installed, the versions are identical.
Older news: See the Change log.