cp2k/output format
Class: CP2KOutputFormat
Conversions
Convert from this format to LabeledSystem
- dpdata.LabeledSystem(file_name, restart=False, fmt: Literal['cp2k/output'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_cp2k_output(file_name, restart=False) dpdata.system.LabeledSystem
Convert this format to LabeledSystem.
- Returns:
- LabeledSystem
converted system