gaussian/log format
Class: GaussianLogFormat
Conversions
Convert from this format to LabeledSystem
- dpdata.LabeledSystem(file_name, md=False, fmt: Literal['gaussian/log'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_gaussian_log(file_name, md=False) dpdata.system.LabeledSystem
Convert this format to LabeledSystem.
- Returns:
- LabeledSystem
converted system