Changed the format of the forces written in extXYZ output (io_module.…

…f90).
OrderN · Oct 6, 2023 · c91e2ce · c91e2ce
1 parent 00329bb
commit c91e2ce
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/io_module.f90 b/src/io_module.f90
@@ -2934,7 +2934,7 @@ subroutine write_extxyz(filename, energy0, atom_force)
 
       do i=1,ni_in_cell
         atom_name = adjustr(species_label(species_glob(i))(1:2))
-        write(lun,'(a4,6f16.8)') atom_name, atom_coord(:,i)*dist_conv_loc, &
+        write(lun,'(a4,3f16.8,3e16.8)') atom_name, atom_coord(:,i)*dist_conv_loc, &
                  (for_conv_loc*atom_force(j,i), j = 1, 3)
                  ! species_glob(i),flag_move_atom(1,i),flag_move_atom(2,i), &
       end do