pymatgen.io.xcrysden module¶

class XSF(structure)[source]¶

Bases: object

Class for parsing XCrysden files.

classmethod from_string(input_string, cls=None)[source]¶

Initialize a Structure object from a string with data in XSF format.

Parameters:	input_string – String with the structure in XSF format. See http://www.xcrysden.org/doc/XSF.html cls – Structure class to be created. default: pymatgen structure

to_string()[source]¶: Returns a string with the structure in XSF format See http://www.xcrysden.org/doc/XSF.html