pyiron_atomistics.vasp.potential.VaspPotentialAbstract

pyiron_atomistics.vasp.potential.VaspPotentialAbstract#

class pyiron_atomistics.vasp.potential.VaspPotentialAbstract(potential_df=None, default_df=None, selected_atoms=None)[source]#

Bases: PotentialAbstract

Parameters:

  • potential_df

  • default_df

  • selected_atoms

__init__(potential_df=None, default_df=None, selected_atoms=None)[source]#

Methods

__init__([potential_df, default_df, ...])

default()

find(element)

Find the potentials

find_by_name(potential_name)

find_default(element)

find_potential_file(path)

list()

List the available potentials

list_potential_names()

Attributes

resource_plugin_name

find(element)[source]#

Find the potentials

Parameters:

element (set, str) – element or set of elements for which you want the possible LAMMPS potentials

Returns:

of possible potentials for the element or the combination of elements

Return type:

list

list()[source]#

List the available potentials

Returns:

of possible potentials for the element or the combination of elements

Return type:

list