--- trunk/OOPSE/libmdtools/calc_eam.F90	2004/01/05 22:49:14	898
+++ trunk/OOPSE/libmdtools/calc_eam.F90	2004/05/24 22:24:30	1195
@@ -651,14 +651,17 @@ contains
 
 
   !! Does EAM pairwise Force calculation.  
-  subroutine do_eam_pair(atom1,atom2,d,rij,r2,pot,f,do_pot,do_stress)
+  subroutine do_eam_pair(atom1, atom2, d, rij, r2, sw, vpair, fpair, &
+       pot, f, do_pot)
     !Arguments    
     integer, intent(in) ::  atom1, atom2
     real( kind = dp ), intent(in) :: rij, r2
-    real( kind = dp ) :: pot
+    real( kind = dp ) :: pot, sw, vpair
     real( kind = dp ), dimension(3,nLocal) :: f
     real( kind = dp ), intent(in), dimension(3) :: d
-    logical, intent(in) :: do_pot, do_stress
+    real( kind = dp ), intent(inout), dimension(3) :: fpair
+
+    logical, intent(in) :: do_pot
     
     real( kind = dp ) :: drdx,drdy,drdz
     real( kind = dp ) :: d2
@@ -809,8 +812,25 @@ contains
        f(1,atom2) = f(1,atom2) - fx
        f(2,atom2) = f(2,atom2) - fy
        f(3,atom2) = f(3,atom2) - fz
+#endif
+       
+       vpair = vpair + phab
+#ifdef IS_MPI
+       id1 = tagRow(atom1)
+       id2 = tagColumn(atom2)
+#else
+       id1 = atom1
+       id2 = atom2
 #endif
        
+       if (molMembershipList(id1) .ne. molMembershipList(id2)) then
+          
+          fpair(1) = fpair(1) + fx
+          fpair(2) = fpair(2) + fy
+          fpair(3) = fpair(3) + fz
+          
+       endif
+    
        if (nmflag) then
 
           drhoidr = drha
@@ -834,40 +854,8 @@ contains
                drhojdr*drhojdr*d2frhodrhodrho(atom1)
 #endif
        end if
-
-
        
-       
-       if (do_stress) then
-          
-#ifdef IS_MPI
-          id1 = tagRow(atom1)
-          id2 = tagColumn(atom2)
-#else
-          id1 = atom1
-          id2 = atom2
-#endif
-          
-          if (molMembershipList(id1) .ne. molMembershipList(id2)) then
-
-             tau_Temp(1) = tau_Temp(1) - d(1) * fx
-             tau_Temp(2) = tau_Temp(2) - d(1) * fy
-             tau_Temp(3) = tau_Temp(3) - d(1) * fz
-             tau_Temp(4) = tau_Temp(4) - d(2) * fx
-             tau_Temp(5) = tau_Temp(5) - d(2) * fy
-             tau_Temp(6) = tau_Temp(6) - d(2) * fz
-             tau_Temp(7) = tau_Temp(7) - d(3) * fx
-             tau_Temp(8) = tau_Temp(8) - d(3) * fy
-             tau_Temp(9) = tau_Temp(9) - d(3) * fz
-
-             virial_Temp = virial_Temp + &
-                  (tau_Temp(1) + tau_Temp(5) + tau_Temp(9))
-
-          endif
-       endif   
-    endif
-
-    
+    endif    
   end subroutine do_eam_pair