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root/group/trunk/OOPSE/libmdtools/calc_charge_charge.F90
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Comparing trunk/OOPSE/libmdtools/calc_charge_charge.F90 (file contents):
Revision 1129 by tim, Thu Apr 22 03:29:30 2004 UTC vs.
Revision 1131 by tim, Thu Apr 22 21:33:55 2004 UTC

# Line 115 | Line 115 | contains
115      me2 = atid(atom2)
116   #endif
117  
118 +
119      q1 = ChargeMap(me1)%charge
120      q2 = ChargeMap(me2)%charge
121  
# Line 144 | Line 145 | contains
145         fy = dudr * drdy
146         fz = dudr * drdz          
147  
148 +
149   #ifdef IS_MPI
150         if (do_pot) then
151            pot_Row(atom1) = pot_Row(atom1) + vterm*taper*0.5
# Line 181 | Line 183 | contains
183            id1 = atom1
184            id2 = atom2
185   #endif
186 +
187  
188            if (molMembershipList(id1) .ne. molMembershipList(id2)) then
189 <            
189 >
190               ! because the d vector is the rj - ri vector, and
191               ! because fx, fy, fz are the force on atom i, we need a
192               ! negative sign here:

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