asap3.readthedocs.io - ASAP - As Soon As Possible — ASAP3

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ASAP is a calculator for doing large-scale classical molecular dynamics within the Atomic Simulation Environment (ASE).

Asap now supports Python 3.7 or later. Asap can now be installed with pip install asap3 .

ASAP currently implements:

Links to asap3.readthedocs.io (1)

• openkim.org OpenKIM · Knowledgebase of Interatomic Models · Interatomic Potentials and Force Fields