def __init__(self, filename=None, config=None, type = 'pw', setting = None,\ parse = True): self._structure = QEStructure(self) self.kpoints = PWKpoints(self) # Boolean flag, if True, QEInput is updated on change of any property in # structure, lattice, or atom self.autoUpdate = True QESInput.__init__(self,filename, config, type = type, setting = setting,\ parse = parse)