--- trunk/OOPSE/libmdtools/calc_sticky_pair.F90	2004/05/11 21:31:15	1160
+++ trunk/OOPSE/libmdtools/calc_sticky_pair.F90	2004/05/24 21:03:30	1192
@@ -9,7 +9,7 @@
 !! @author Matthew Meineke
 !! @author Christopher Fennel
 !! @author J. Daniel Gezelter
-!! @version $Id: calc_sticky_pair.F90,v 1.18 2004-05-11 21:31:14 gezelter Exp $, $Date: 2004-05-11 21:31:14 $, $Name: not supported by cvs2svn $, $Revision: 1.18 $
+!! @version $Id: calc_sticky_pair.F90,v 1.19 2004-05-24 21:03:25 gezelter Exp $, $Date: 2004-05-24 21:03:25 $, $Name: not supported by cvs2svn $, $Revision: 1.19 $
 
 module sticky_pair
 
@@ -74,8 +74,8 @@ contains
     return
   end subroutine set_sticky_params
 
-  subroutine do_sticky_pair(atom1, atom2, d, rij, r2, sw, vpair, pot, A,f, t, &
-       do_pot, do_stress)
+  subroutine do_sticky_pair(atom1, atom2, d, rij, r2, sw, vpair, fpair, &
+       pot, A, f, t, do_pot)
     
     !! This routine does only the sticky portion of the SSD potential
     !! [Chandra and Ichiye, J. Chem. Phys. 111, 2701 (1999)].
@@ -89,11 +89,12 @@ contains
     integer, intent(in) :: atom1, atom2
     real (kind=dp), intent(inout) :: rij, r2
     real (kind=dp), dimension(3), intent(in) :: d
+    real (kind=dp), dimension(3), intent(inout) :: fpair
     real (kind=dp) :: pot, vpair, sw
     real (kind=dp), dimension(9,nLocal) :: A
     real (kind=dp), dimension(3,nLocal) :: f
     real (kind=dp), dimension(3,nLocal) :: t
-    logical, intent(in) :: do_pot, do_stress
+    logical, intent(in) :: do_pot
 
     real (kind=dp) :: xi, yi, zi, xj, yj, zj, xi2, yi2, zi2, xj2, yj2, zj2
     real (kind=dp) :: r3, r5, r6, s, sp, dsdr, dspdr
@@ -347,38 +348,22 @@ contains
        f(3,atom2) = f(3,atom2) - fzradial
 #endif
 
-       if (do_stress) then          
-
 #ifdef IS_MPI
-          id1 = tagRow(atom1)
-          id2 = tagColumn(atom2)
+       id1 = tagRow(atom1)
+       id2 = tagColumn(atom2)
 #else
-          id1 = atom1
-          id2 = atom2
+       id1 = atom1
+       id2 = atom2
 #endif
-
-          if (molMembershipList(id1) .ne. molMembershipList(id2)) then
-
-             ! because the d vector is the rj - ri vector, and 
-             ! because fxradial, fyradial, and fzradial are the
-             ! (positive) force on atom i (negative on atom j) we need
-             ! a negative sign here:
-
-             tau_Temp(1) = tau_Temp(1) - d(1) * fxradial
-             tau_Temp(2) = tau_Temp(2) - d(1) * fyradial
-             tau_Temp(3) = tau_Temp(3) - d(1) * fzradial
-             tau_Temp(4) = tau_Temp(4) - d(2) * fxradial
-             tau_Temp(5) = tau_Temp(5) - d(2) * fyradial
-             tau_Temp(6) = tau_Temp(6) - d(2) * fzradial
-             tau_Temp(7) = tau_Temp(7) - d(3) * fxradial
-             tau_Temp(8) = tau_Temp(8) - d(3) * fyradial
-             tau_Temp(9) = tau_Temp(9) - d(3) * fzradial
-
-             virial_Temp = virial_Temp + (tau_Temp(1) + tau_Temp(5) + tau_Temp(9))
-          endif
+       
+       if (molMembershipList(id1) .ne. molMembershipList(id2)) then
+          
+          fpair(1) = fpair(1) + fxradial
+          fpair(2) = fpair(2) + fyradial
+          fpair(3) = fpair(3) + fzradial
+          
        endif
     endif
-
   end subroutine do_sticky_pair
 
   !! calculates the switching functions and their derivatives for a given