--- trunk/OOPSE/libmdtools/calc_sticky_pair.F90	2003/04/07 21:20:38	473
+++ trunk/OOPSE/libmdtools/calc_sticky_pair.F90	2003/04/09 04:06:43	483
@@ -9,7 +9,7 @@
 !! @author Matthew Meineke
 !! @author Christopher Fennel
 !! @author J. Daniel Gezelter
-!! @version $Id: calc_sticky_pair.F90,v 1.6 2003-04-07 21:20:38 mmeineke Exp $, $Date: 2003-04-07 21:20:38 $, $Name: not supported by cvs2svn $, $Revision: 1.6 $
+!! @version $Id: calc_sticky_pair.F90,v 1.8 2003-04-09 04:06:43 gezelter Exp $, $Date: 2003-04-09 04:06:43 $, $Name: not supported by cvs2svn $, $Revision: 1.8 $
 
 module sticky_pair
 
@@ -308,26 +308,28 @@ contains
     f_Col(2,atom2) = f_Col(2,atom2) - fyradial
     f_Col(3,atom2) = f_Col(3,atom2) - fzradial
 #else
-    f(1,atom1) = f(1,atom1) - fxradial
-    f(2,atom1) = f(2,atom1) - fyradial
-    f(3,atom1) = f(3,atom1) - fzradial
+    f(1,atom1) = f(1,atom1) + fxradial
+    f(2,atom1) = f(2,atom1) + fyradial
+    f(3,atom1) = f(3,atom1) + fzradial
     
-    f(1,atom2) = f(1,atom2) + fxradial
-    f(2,atom2) = f(2,atom2) + fyradial
-    f(3,atom2) = f(3,atom2) + fzradial
+    f(1,atom2) = f(1,atom2) - fxradial
+    f(2,atom2) = f(2,atom2) - fyradial
+    f(3,atom2) = f(3,atom2) - fzradial
 #endif
     
     if (do_stress) then          
-       tau_Temp(1) = tau_Temp(1) + fxradial * d(1)
-       tau_Temp(2) = tau_Temp(2) + fxradial * d(2)
-       tau_Temp(3) = tau_Temp(3) + fxradial * d(3)
-       tau_Temp(4) = tau_Temp(4) + fyradial * d(1)
-       tau_Temp(5) = tau_Temp(5) + fyradial * d(2)
-       tau_Temp(6) = tau_Temp(6) + fyradial * d(3)
-       tau_Temp(7) = tau_Temp(7) + fzradial * d(1)
-       tau_Temp(8) = tau_Temp(8) + fzradial * d(2)
-       tau_Temp(9) = tau_Temp(9) + fzradial * 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) + fxradial * d(1)
+          tau_Temp(2) = tau_Temp(2) + fxradial * d(2)
+          tau_Temp(3) = tau_Temp(3) + fxradial * d(3)
+          tau_Temp(4) = tau_Temp(4) + fyradial * d(1)
+          tau_Temp(5) = tau_Temp(5) + fyradial * d(2)
+          tau_Temp(6) = tau_Temp(6) + fyradial * d(3)
+          tau_Temp(7) = tau_Temp(7) + fzradial * d(1)
+          tau_Temp(8) = tau_Temp(8) + fzradial * d(2)
+          tau_Temp(9) = tau_Temp(9) + fzradial * d(3)
+          virial_Temp = virial_Temp + (tau_Temp(1) + tau_Temp(5) + tau_Temp(9))
+       endif
     endif
    
   end subroutine do_sticky_pair