pyiron_atomistics.lammps.potential

pyiron_atomistics.lammps.potential#

Functions

list_potentials(structure)

List of interatomic potentials suitable for the given atomic structure.

view_potentials(structure)

List all interatomic potentials for the given atomistic structure including all potential parameters.

Classes

LammpsPotential([input_file_name])

This module helps write commands which help in the control of parameters related to the potential used in LAMMPS simulations

LammpsPotentialFile([potential_df, ...])

The Potential class is derived from the PotentialAbstract class, but instead of loading the potentials from a list, the potentials are loaded from a file.

PotentialAvailable(list_of_potentials)