fhi_aims/scf format
Class: FhiSCFFormat
Conversions
Convert from this format to LabeledSystem
- dpdata.LabeledSystem(file_name, fmt: Literal['fhi_aims/scf'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_fhi_aims_scf(file_name) dpdata.system.LabeledSystem
Convert this format to LabeledSystem.
- Returns:
- LabeledSystem
converted system