abacus/lcao/scf format
abacus/pw/scf format
abacus/scf format
Class: AbacusSCFFormat
Conversions
Convert from this format to LabeledSystem
- dpdata.LabeledSystem(file_name, fmt: Literal['abacus/lcao/scf'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem(file_name, fmt: Literal['abacus/pw/scf'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem(file_name, fmt: Literal['abacus/scf'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_abacus_lcao_scf(file_name) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_abacus_pw_scf(file_name) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_abacus_scf(file_name) dpdata.system.LabeledSystem
Convert this format to LabeledSystem.
- Returns:
- LabeledSystem
converted system