abacus/lcao/relax format
abacus/pw/relax format
abacus/relax format
Class: AbacusRelaxFormat
Conversions
Convert from this format to LabeledSystem
- dpdata.LabeledSystem(file_name, fmt: Literal['abacus/lcao/relax'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem(file_name, fmt: Literal['abacus/pw/relax'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem(file_name, fmt: Literal['abacus/relax'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_abacus_lcao_relax(file_name) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_abacus_pw_relax(file_name) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_abacus_relax(file_name) dpdata.system.LabeledSystem
Convert this format to LabeledSystem.
- Returns:
- LabeledSystem
converted system