--- trunk/src/nonbonded/Electrostatic.cpp	2013/08/17 13:03:17	1928
+++ trunk/src/nonbonded/Electrostatic.cpp	2013/08/21 16:52:56	1932
@@ -765,7 +765,6 @@ namespace OpenMD {
 
     // Excluded potential that is still computed for fluctuating charges
     excluded_Pot= 0.0;
-
 
     // some variables we'll need independent of electrostatic type:
 
@@ -887,18 +886,19 @@ namespace OpenMD {
         Ea += pre14_ * (trQb * rhat * dv21 + 2.0 * Qbr * v22or 
                         + rdQbr * rhat * (dv22 - 2.0*v22or));
     }
-    
+        
+
     if ((a_is_Fluctuating || b_is_Fluctuating) && idat.excluded) {
       J = Jij[FQtids[idat.atid1]][FQtids[idat.atid2]];
     }    
-    
+
     if (a_is_Charge) {     
       
       if (b_is_Charge) {
         pref =  pre11_ * *(idat.electroMult);      
         U  += C_a * C_b * pref * v01;
         F  += C_a * C_b * pref * dv01 * rhat;
-        
+
         // If this is an excluded pair, there are still indirect
         // interactions via the reaction field we must worry about:
 
@@ -907,22 +907,21 @@ namespace OpenMD {
           indirect_Pot += rfContrib;
           indirect_F   += rfContrib * 2.0 * ri * rhat;
         }
-        
+
         // Fluctuating charge forces are handled via Coulomb integrals
         // for excluded pairs (i.e. those connected via bonds) and
         // with the standard charge-charge interaction otherwise.
 
-        if (idat.excluded) {          
+        if (idat.excluded) {
           if (a_is_Fluctuating || b_is_Fluctuating) {
             coulInt = J->getValueAt( *(idat.rij) );
-            if (a_is_Fluctuating)  dUdCa += coulInt * C_b;
-            if (b_is_Fluctuating)  dUdCb += coulInt * C_a;
-            excluded_Pot += C_a * C_b * coulInt;
-          }          
+            if (a_is_Fluctuating) dUdCa += C_b * coulInt;
+            if (b_is_Fluctuating) dUdCb += C_a * coulInt;          
+          }
         } else {
           if (a_is_Fluctuating) dUdCa += C_b * pref * v01;
           if (b_is_Fluctuating) dUdCb += C_a * pref * v01;
-        }
+        }              
       }
 
       if (b_is_Dipole) {
@@ -1142,8 +1141,7 @@ namespace OpenMD {
         
     if (i_is_Fluctuating) {
       C_a += *(sdat.flucQ);
-      // dVdFQ is really a force, so this is negative the derivative
-      *(sdat.dVdFQ) -=  *(sdat.flucQ) * data.hardness + data.electronegativity;
+      *(sdat.flucQfrc) -=  *(sdat.flucQ) * data.hardness + data.electronegativity;
       (*(sdat.excludedPot))[ELECTROSTATIC_FAMILY] += (*sdat.flucQ) * 
         (*(sdat.flucQ) * data.hardness * 0.5 + data.electronegativity);
     }
@@ -1441,11 +1439,10 @@ namespace OpenMD {
                   dks[i] = dk * skr[i];
                 }
                 if (data.is_Quadrupole) {
-                  Q = atom->getQuadrupole();
-                  Q *= mPoleConverter;
-                  Qk = Q * kVec;
-                  qk = dot(kVec, Qk);
-                  qxk[i] = cross(kVec, Qk);
+                  Q = atom->getQuadrupole() * mPoleConverter; 
+                  Qk = Q * kVec;                  
+                  qk = dot(Qk, kVec);
+                  qxk[i] = cross(Qk, kVec);
                   qkc[i] = qk * ckr[i];
                   qks[i] = qk * skr[i];
                 }