vasp/xml format

Contents

vasp/xml format#

xml format#

Class: VASPXMLFormat

Conversions#

Convert from this format to LabeledSystem#

dpdata.LabeledSystem(file_name, begin=0, step=1, fmt: Literal['vasp/xml'] = None) → dpdata.system.LabeledSystem

dpdata.LabeledSystem(file_name, begin=0, step=1, fmt: Literal['xml'] = None) → dpdata.system.LabeledSystem

dpdata.LabeledSystem.from_vasp_xml(file_name, begin=0, step=1) → dpdata.system.LabeledSystem

dpdata.LabeledSystem.from_xml(file_name, begin=0, step=1) → dpdata.system.LabeledSystem

Convert this format to LabeledSystem.

Returns:

LabeledSystem: converted system