def get_header(self, structure, source='', comment=''): """ Creates header string from structure object Args: structure: A pymatgen structure object source: Source identifier used to create structure, can be defined however user wants to organize structures, calculations, etc. example would be Materials Project material ID number. comment: comment to include in header Returns: Header object to be used in feff.inp file from a pymatgen structure """ return Header(structure, source, comment)