siesta/output format

Class: SiestaOutputFormat

Conversions

Convert from this format to System

dpdata.System(file_name, fmt: Literal['siesta/output'] = None) → dpdata.system.System

dpdata.System.from_siesta_output(file_name) → dpdata.system.System

Convert this format to System.

Returns:

System: converted system

Convert from this format to LabeledSystem

dpdata.LabeledSystem(file_name, fmt: Literal['siesta/output'] = None) → dpdata.system.LabeledSystem

dpdata.LabeledSystem.from_siesta_output(file_name) → dpdata.system.LabeledSystem

Convert this format to LabeledSystem.

Returns:

LabeledSystem: converted system