diff --git a/pyiron_lammps/__init__.py b/pyiron_lammps/__init__.py index 688607a..1d44430 100644 --- a/pyiron_lammps/__init__.py +++ b/pyiron_lammps/__init__.py @@ -5,7 +5,11 @@ lammps_file_interface_function, ) from pyiron_lammps.output import parse_lammps_output as parse_lammps_output_files -from pyiron_lammps.potential import get_potential_by_name, get_potential_dataframe +from pyiron_lammps.potential import ( + get_potential_by_name, + get_potential_dataframe, + validate_potential_dataframe, +) from pyiron_lammps.structure import write_lammps_datafile as write_lammps_structure DUMP_COMMANDS = [ @@ -29,5 +33,6 @@ "lammps_file_initialization", "lammps_file_interface_function", "parse_lammps_output_files", + "validate_potential_dataframe", "write_lammps_structure", ]