Asap version 3.11.3 supporting OpenKIM 2.0.0.beta3 released.

Dear all,

I have released Asap version 3.11.3. Asap is an extension to the Atomic Simulation Environment which includes a number of potentials, including a generic interface to OpenKIM models. It also extends ASE to allow massively parallel simulations with domain decomposition.

Asap now uses OpenKIM version 2.0.0.beta3, and the simpler memory management in OpenKIM 2 has removed some issues with some KIM models in parallel simulations.

Asap can be installed with pip:

python3 -m pip install --user ase
python3 -m pip install --user asap3

See also

Best regards