NEB hasmiddle bug fix

dmejiar · Jan 17, 2024 · f53eb6f · f53eb6f
1 parent acfe55e
commit f53eb6f
Showing 1 changed file with 5 additions and 4 deletions.
diff --git a/src/optim/neb/neb_utils.F b/src/optim/neb/neb_utils.F
@@ -868,10 +868,11 @@ subroutine neb_initial_path(rtdb,bead_list,nbeads)
             if (.not.geom_rtdb_load(rtdb,geom,'midgeom')) then
                hasmiddle = .false.
             end if
-         else
-            if (.not.geom_cart_coords_get(geom,dbl_mb(rmid(1))))
-     >      call errquit('neb_initial_path failed',2,0)
-         end if
+         endif
+      endif
+      if (hasmiddle) then
+         if (.not.geom_cart_coords_get(geom,dbl_mb(rmid(1))))
+     >   call errquit('neb_initial_path failed',2,0)
       end if
 
       if (oprint) then