vasp/outcar format
outcar format
Class: VASPOutcarFormat
Conversions
Convert from this format to LabeledSystem
- dpdata.LabeledSystem(file_name, begin=0, step=1, convergence_check=True, fmt: Literal['vasp/outcar'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem(file_name, begin=0, step=1, convergence_check=True, fmt: Literal['outcar'] = None) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_vasp_outcar(file_name, begin=0, step=1, convergence_check=True) dpdata.system.LabeledSystem
- dpdata.LabeledSystem.from_outcar(file_name, begin=0, step=1, convergence_check=True) dpdata.system.LabeledSystem
Convert this format to LabeledSystem.
- Returns:
- LabeledSystem
converted system