--- trunk/OOPSE/libmdtools/calc_dipole_dipole.F90	2003/04/04 22:22:30	460
+++ trunk/OOPSE/libmdtools/calc_dipole_dipole.F90	2003/04/07 20:06:31	469
@@ -10,10 +10,10 @@ module dipole_dipole
 #endif
   implicit none
 
-  real(kind=dp), save :: rrf
-  real(kind=dp), save :: rt  
-  real(kind=dp), save :: rrfsq
-  real(kind=dp), save :: pre
+  real(kind=dp), save :: rrf = 0.0
+  real(kind=dp), save :: rt  = 0.0
+  real(kind=dp), save :: rrfsq = 0.0
+  real(kind=dp), save :: pre = 0.0
   logical, save :: dipole_initialized = .false.
 
 contains
@@ -39,7 +39,7 @@ contains
 
     integer atom1, atom2, me1, me2
     real(kind=dp) :: rij, mu1, mu2
-    real(kind=dp) :: dfact1, dfact2, dip2, r2, r3, r5, pre
+    real(kind=dp) :: dfact1, dfact2, dip2, r2, r3, r5
     real(kind=dp) :: dudx, dudy, dudz, dudu1x, dudu1y, dudu1z
     real(kind=dp) :: dudu2x, dudu2y, dudu2z, rdotu1, rdotu2, u1dotu2
     real(kind=dp) :: taper, dtdr, vterm
@@ -81,11 +81,11 @@ contains
 #endif
 
     if( atom1 .eq. 2 )then
-       write (*,*) 'ul =', ul1(1), ul1(2), ul1(3)
+       write (0,*) 'ul =', ul1(1), ul1(2), ul1(3)
     endif
 
     if( atom2 .eq. 2 )then
-       write (*,*) 'ul =', ul2(1), ul2(2), ul2(3)
+       write (0,*) 'ul =', ul2(1), ul2(2), ul2(3)
     endif
 
 
@@ -101,21 +101,20 @@ contains
           taper = (rrf + 2.0d0*rij - 3.0d0*rt)*(rrf-rij)**2/ ((rrf-rt)**3)
           dtdr = 6.0d0*(rij*rij - rij*rt - rij*rrf +rrf*rt)/((rrf-rt)**3)
        endif
-       
+
        r3 = r2*rij
        r5 = r3*r2
        
        rdotu1 = d(1)*ul1(1) + d(2)*ul1(2) + d(3)*ul1(3)
        rdotu2 = d(1)*ul2(1) + d(2)*ul2(2) + d(3)*ul2(3)
        u1dotu2 = ul1(1)*ul2(1) + ul1(2)*ul2(2) + ul1(3)*ul2(3)
-       
+
        dip2 = pre * mu1 * mu2
-       
        dfact1 = 3.0d0*dip2 / r2
        dfact2 = 3.0d0*dip2 / r5
-       
+
        vterm = dip2*((u1dotu2/r3) - 3.0d0*(rdotu1*rdotu2/r5))
-       
+
        if (do_pot) then
 #ifdef IS_MPI 
           pot_row(atom1) = pot_row(atom1) + 0.5d0*vterm*taper
@@ -139,16 +138,16 @@ contains
             (5.0d0*(rdotu1*rdotu2)/r5)) -  &
             dfact2*(ul1(3)*rdotu2 + ul2(3)*rdotu1))*taper +  &
             vterm*dtdr*d(3)/rij
-       
+
        dudu1x = (dip2*((ul2(1)/r3) - (3.0d0*d(1)*rdotu2/r5)))*taper
        dudu1y = (dip2*((ul2(2)/r3) - (3.0d0*d(2)*rdotu2/r5)))*taper
        dudu1z = (dip2*((ul2(3)/r3) - (3.0d0*d(3)*rdotu2/r5)))*taper
-       
+
        dudu2x = (dip2*((ul1(1)/r3) - (3.0d0*d(1)*rdotu1/r5)))*taper
        dudu2y = (dip2*((ul1(2)/r3) - (3.0d0*d(2)*rdotu1/r5)))*taper
        dudu2z = (dip2*((ul1(3)/r3) - (3.0d0*d(3)*rdotu1/r5)))*taper
        
-       
+
 #ifdef IS_MPI
        f_Row(1,atom1) = f_Row(1,atom1) - dudx
        f_Row(2,atom1) = f_Row(2,atom1) - dudy