pyiron_atomistics.atomistics.job.potentials

pyiron_atomistics.atomistics.job.potentials#

An abstract Potential class to provide an easy access for the available potentials. Currently implemented for the OpenKim https://openkim.org database.

Classes

PotentialAbstract(potential_df[, ...])

The PotentialAbstract class loads a list of available potentials and sorts them. Afterwards the potentials can be accessed through: PotentialAbstract.<Element>.<Element> or PotentialAbstract.find_potentials_set({<Element>, <Element>}.