Пример #1
0
 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,
     )
Пример #2
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 def write_cif(self, cell, temperature_index):
     write_cif_P1(cell,
                  U_cif=self._disp_matrices_cif[temperature_index],
                  filename="tdispmat.cif")
Пример #3
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 def write_cif(self, cell, temperature_index):
     write_cif_P1(cell,
                  U_cif=self._disp_matrices_cif[temperature_index],
                  filename="tdispmat.cif")