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