/asexecutor

A convenient python library to execute ASE (Atomic Simulation Environment) calculators on clusters.

Primary LanguagePythonMIT LicenseMIT

asexecutor

Binder PyPI version Code style: black MIT license

Asexecutor is a convenient python library to wrap ASE (Atomic Simulation Environment) calculators to be executed on clusters.

Installing

You can install asexecutor via pip:

$ pip install asexecutor

Documentation

Detailed documentation will be available soon.

License

Asexecutor is distributed under the MIT license.