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:
to_string()[source]

Returns a string with the structure in XSF format See http://www.xcrysden.org/doc/XSF.html