--- trunk/OOPSE/libmdtools/do_Forces.F90	2003/04/07 20:50:46	470
+++ trunk/OOPSE/libmdtools/do_Forces.F90	2003/04/11 15:16:59	490
@@ -4,7 +4,7 @@
 
 !! @author Charles F. Vardeman II
 !! @author Matthew Meineke
-!! @version $Id: do_Forces.F90,v 1.11 2003-04-07 20:50:46 chuckv Exp $, $Date: 2003-04-07 20:50:46 $, $Name: not supported by cvs2svn $, $Revision: 1.11 $
+!! @version $Id: do_Forces.F90,v 1.15 2003-04-11 15:16:59 gezelter Exp $, $Date: 2003-04-11 15:16:59 $, $Name: not supported by cvs2svn $, $Revision: 1.15 $
 
 module do_Forces
   use force_globals
@@ -140,7 +140,15 @@ contains
 
     if (FF_uses_GB .and. FF_uses_LJ) then
     endif
-
+    if (.not. do_forces_initialized) then
+       !! Create neighbor lists
+       call expandNeighborList(getNlocal(), my_status)
+       if (my_Status /= 0) then
+          write(default_error,*) "SimSetup: ExpandNeighborList returned error."
+          thisStat = -1
+          return
+       endif
+    endif
 
     do_forces_initialized = .true.    
  
@@ -210,7 +218,6 @@ contains
 
     do_pot = do_pot_c
     do_stress = do_stress_c
-    
 
     ! Gather all information needed by all force loops:
     
@@ -480,7 +487,7 @@ contains
     endif
 
     if (do_stress) then
-       call mpi_allreduce(tau_Temp, tau,9,mpi_double_precision,mpi_sum, &
+      call mpi_allreduce(tau_Temp, tau, 9,mpi_double_precision,mpi_sum, &
             mpi_comm_world,mpi_err)
        call mpi_allreduce(virial_Temp, virial,1,mpi_double_precision,mpi_sum, &
             mpi_comm_world,mpi_err)
@@ -517,8 +524,13 @@ contains
     integer :: me_i, me_j
 
     r = sqrt(rijsq)
+
+
 
 #ifdef IS_MPI
+    if (tagRow(i) .eq. tagColumn(j)) then
+       write(0,*) 'do_pair is doing', i , j, tagRow(i), tagColumn(j)
+    endif
 
     me_i = atid_row(i)
     me_j = atid_col(j)
@@ -587,7 +599,7 @@ contains
     real ( kind = dp ), intent(out) :: r_sq
     real( kind = dp ) :: d(3)
     real( kind = dp ) :: d_old(3)
-    d(1:3) = q_i(1:3) - q_j(1:3)
+    d(1:3) = q_j(1:3) - q_i(1:3)
     d_old = d
     ! Wrap back into periodic box if necessary
     if ( SimUsesPBC() ) then