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--- out_xtl [2016/10/16 11:51] – created johnsoevans
+++ out_xtl [2022/11/03 15:08] (current) – external edit 127.0.0.1
@@ Line 1: / Line 1: @@
+Output .xtl Format
+Write out atoms in the old insight .xtl format, which is still used by some packages.
+<code topas>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")
+}</code>