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Include validate_potential_dataframe() in public API #280

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Merged
jan-janssen merged 1 commit into from
Nov 30, 2025
Merged

Include validate_potential_dataframe() in public API #280

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7 changes: 6 additions & 1 deletion pyiron_lammps/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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 = [
Expand All @@ -29,5 +33,6 @@
"lammps_file_initialization",
"lammps_file_interface_function",
"parse_lammps_output_files",
"validate_potential_dataframe",
"write_lammps_structure",
]
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