--- trunk/OOPSE/libmdtools/calc_dipole_dipole.F90	2003/04/08 22:38:43	482
+++ trunk/OOPSE/libmdtools/calc_dipole_dipole.F90	2003/04/09 04:06:43	483
@@ -183,16 +183,22 @@ contains
 #endif
        
        if (do_stress) then          
-          tau_Temp(1) = tau_Temp(1) + dudx * d(1)
-          tau_Temp(2) = tau_Temp(2) + dudx * d(2)
-          tau_Temp(3) = tau_Temp(3) + dudx * d(3)
-          tau_Temp(4) = tau_Temp(4) + dudy * d(1)
-          tau_Temp(5) = tau_Temp(5) + dudy * d(2)
-          tau_Temp(6) = tau_Temp(6) + dudy * d(3)
-          tau_Temp(7) = tau_Temp(7) + dudz * d(1)
-          tau_Temp(8) = tau_Temp(8) + dudz * d(2)
-          tau_Temp(9) = tau_Temp(9) + dudz * d(3)
-          virial_Temp = virial_Temp + (tau_Temp(1) + tau_Temp(5) + tau_Temp(9))
+
+          if (molMembershipList(atom1) .ne. molMembershipList(atom2)) then
+
+             tau_Temp(1) = tau_Temp(1) + dudx * d(1)
+             tau_Temp(2) = tau_Temp(2) + dudx * d(2)
+             tau_Temp(3) = tau_Temp(3) + dudx * d(3)
+             tau_Temp(4) = tau_Temp(4) + dudy * d(1)
+             tau_Temp(5) = tau_Temp(5) + dudy * d(2)
+             tau_Temp(6) = tau_Temp(6) + dudy * d(3)
+             tau_Temp(7) = tau_Temp(7) + dudz * d(1)
+             tau_Temp(8) = tau_Temp(8) + dudz * d(2)
+             tau_Temp(9) = tau_Temp(9) + dudz * d(3)
+             virial_Temp = virial_Temp + &
+                  (tau_Temp(1) + tau_Temp(5) + tau_Temp(9))
+
+          endif          
        endif
        
     endif