--- trunk/OOPSE/libmdtools/calc_dipole_dipole.F90	2003/03/21 22:11:50	388
+++ trunk/OOPSE/libmdtools/calc_dipole_dipole.F90	2003/03/24 21:55:34	394
@@ -24,6 +24,11 @@ contains
     rrfsq = rrf * rrf
     ! pre converts from mu in units of debye to kcal/mol
     pre = 14.38362_dp
+
+
+    write(*,*) 'rrf = ', rrf
+    write(*,*) 'rt = ', rt
+    write(*,*) 'pre = ', pre
     
     dipole_initialized = .true.
     
@@ -140,13 +145,13 @@ contains
        
        
 #ifdef IS_MPI
-       f_Row(1,atom1) = f_Row(1,atom1) + dudx
-       f_Row(2,atom1) = f_Row(2,atom1) + dudy
-       f_Row(3,atom1) = f_Row(3,atom1) + dudz
+       f_Row(1,atom1) = f_Row(1,atom1) - dudx
+       f_Row(2,atom1) = f_Row(2,atom1) - dudy
+       f_Row(3,atom1) = f_Row(3,atom1) - dudz
 
-       f_Col(1,atom2) = f_Col(1,atom2) - dudx
-       f_Col(2,atom2) = f_Col(2,atom2) - dudy
-       f_Col(3,atom2) = f_Col(3,atom2) - dudz
+       f_Col(1,atom2) = f_Col(1,atom2) + dudx
+       f_Col(2,atom2) = f_Col(2,atom2) + dudy
+       f_Col(3,atom2) = f_Col(3,atom2) + dudz
        
        t_Row(1,atom1) = t_Row(1,atom1) - ul1(2)*dudu1z + ul1(3)*dudu1y
        t_Row(2,atom1) = t_Row(2,atom1) - ul1(3)*dudu1x + ul1(1)*dudu1z
@@ -156,13 +161,13 @@ contains
        t_Col(2,atom2) = t_Col(2,atom2) - ul2(3)*dudu2x + ul2(1)*dudu2z
        t_Col(3,atom2) = t_Col(3,atom2) - ul2(1)*dudu2y + ul2(2)*dudu2x
 #else
-       f(1,atom1) = f(1,atom1) + dudx
-       f(2,atom1) = f(2,atom1) + dudy
-       f(3,atom1) = f(3,atom1) + dudz
+       f(1,atom1) = f(1,atom1) - dudx
+       f(2,atom1) = f(2,atom1) - dudy
+       f(3,atom1) = f(3,atom1) - dudz
        
-       f(1,atom2) = f(1,atom2) - dudx
-       f(2,atom2) = f(2,atom2) - dudy
-       f(3,atom2) = f(3,atom2) - dudz
+       f(1,atom2) = f(1,atom2) + dudx
+       f(2,atom2) = f(2,atom2) + dudy
+       f(3,atom2) = f(3,atom2) + dudz
        
        t(1,atom1) = t(1,atom1) - ul1(2)*dudu1z + ul1(3)*dudu1y
        t(2,atom1) = t(2,atom1) - ul1(3)*dudu1x + ul1(1)*dudu1z