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