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Out_CIF_ADPs_Diamond

Description: Output cif with Bisos for Diamond

Comment: Outputs Biso in format that Diamond will import properly

Contributed by: Pamela Whitfield

macro Out_CIF_ADPs_Diamond(file)
{
   out file append
      Out_String("\nloop_")
      Out_String("\n_atom_site_aniso_label")
      Out_String("\n_atom_site_aniso_U_11")
      Out_String("\n_atom_site_aniso_U_22")
      Out_String("\n_atom_site_aniso_U_33")
      Out_String("\n_atom_site_aniso_U_12")
      Out_String("\n_atom_site_aniso_U_13")
      Out_String("\n_atom_site_aniso_U_23")
      atom_out file append
         load out_record out_fmt out_eqn
         {
            "\n%s" = Get_From_String(Get(current_atom), site);
            " %V" = Get_From_String(Get(current_atom), u11);
            " %V" = Get_From_String(Get(current_atom), u22);
            " %V" = Get_From_String(Get(current_atom), u33);
            " %V" = Get_From_String(Get(current_atom), u12);
            " %V" = Get_From_String(Get(current_atom), u13);
            " %V" = Get_From_String(Get(current_atom), u23);
          }
}

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