FIx to opt-orient command due to difference with how boundary command worked

src/opt_orient.f90

@@ -22,6 +22,7 @@ module opt_orient
         integer :: i, ibasis, inod
         logical :: isortho, isrighthanded
         real(kind=dp) :: inv_sub_box_ori(3,3,sub_box_num)
+        character(len=3) :: old_box_bc
 
         !First parse the orient command
         call parse_orient(arg_pos)
@@ -31,7 +32,7 @@ module opt_orient
 
         !Find all inverse orientation matrices for all sub_boxes
         do i = 1, sub_box_num
-            call matrix_inverse(sub_box_ori, 3, inv_sub_box_ori)
+            call matrix_inverse(sub_box_ori(:,:,i), 3, inv_sub_box_ori(:,:,i))
         end do
 
         !Now transform all atoms
@@ -62,8 +63,11 @@ module opt_orient
         !Save original box boundaries
         orig_box_bd = box_bd
 
-        !Now find new box boundaries
+        !Now find new box boundaries, have to temporarily define the box as shrink wrapped for def new box to work
+        old_box_bc = box_Bc
+        box_bc = 'sss'
         call def_new_box
+        box_bc = old_box_bc
     end subroutine orient
 
     subroutine parse_orient(arg_pos)