Trace: • out_xtl
Output .xtl Format
Write out atoms in the old insight .xtl format, which is still used by some packages.
macro Out_xtl(file) { out file Out_String("TITLE ") Out(Get(phase_name)) Out_String("\nCELL\n") Out(Get(a), "%9.4f") Out(Get(b), "%9.4f") Out(Get(c), "%9.4f") Out(Get(al), "%9.4f") Out(Get(be), "%9.4f") Out(Get(ga), "%9.4f") Out_String("\nATOMS") Out_String("\nNAME X Y Z") atom_out file append load out_record out_fmt out_eqn { "\n%-4s" = Get_From_String(Get(current_atom), atom); "%11.8f " = Get_From_String(Get(current_atom), x); " %11.8f " = Get_From_String(Get(current_atom), y); " %11.8f " = Get_From_String(Get(current_atom), z); } out file append Out_String("\nEOF") }