def write_cif(self, cell, temperature_index, filename="tdispmat.cif"): """Write results to file in P1 symmetry CIF format.""" write_cif_P1( cell, U_cif=self._disp_matrices_cif[temperature_index], filename=filename, )
def write_cif(self, cell, temperature_index): write_cif_P1(cell, U_cif=self._disp_matrices_cif[temperature_index], filename="tdispmat.cif")