pyiron_atomistics.vasp.potential

Functions

get_enmax_among_potentials(*names[, ...])	Given potential names without XC information or elemental symbols, look over all the corresponding POTCAR files and find the largest ENMAX value.
get_enmax_among_species(symbol_lst[, ...])	DEPRECATED: Please use get_enmax_among_potentials.
strip_xc_from_potential_name(name)

Classes

Potcar([input_file_name, table_name])
VaspPotential([selected_atoms])	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.
VaspPotentialAbstract([potential_df, ...])	param potential_df:
VaspPotentialFile([xc, selected_atoms])	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.
VaspPotentialSetter(element_lst)