--- trunk/src/nonbonded/Electrostatic.cpp	2013/08/07 15:24:16	1925
+++ trunk/src/nonbonded/Electrostatic.cpp	2013/08/23 15:59:23	1933
@@ -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 (a_is_Fluctuating) dUdCb += C_a * pref * v01;
-        }
+          if (b_is_Fluctuating) dUdCb += C_a * pref * v01;
+        }              
       }
 
       if (b_is_Dipole) {
@@ -988,7 +987,6 @@ namespace OpenMD {
         F  -= pref * (rdDa * rdDb) * (dv22 - 2.0*v22or) * rhat;
         Ta += pref * ( v21 * DaxDb - v22 * rdDb * rxDa);
         Tb += pref * (-v21 * DaxDb - v22 * rdDa * rxDb);
-
         // Even if we excluded this pair from direct interactions, we
         // still have the reaction-field-mediated dipole-dipole
         // interaction:
@@ -1048,7 +1046,7 @@ namespace OpenMD {
         trQaQb = QaQb.trace();
         rQaQb = rhat * QaQb;
         QaQbr = QaQb * rhat;
-        QaxQb = cross(Q_a, Q_b);
+        QaxQb = mCross(Q_a, Q_b);
         rQaQbr = dot(rQa, Qbr);
         rQaxQbr = cross(rQa, Qbr);
         
@@ -1079,7 +1077,6 @@ namespace OpenMD {
         //             + 4.0 * cross(rhat, QbQar) 
 
         Tb += pref * 2.0 * cross(rhat,Qbr) * rdQar * v43;
-
       }
     }
 
@@ -1142,8 +1139,7 @@ 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);
     }
@@ -1441,9 +1437,8 @@ namespace OpenMD {
                   dks[i] = dk * skr[i];
                 }
                 if (data.is_Quadrupole) {
-                  Q = atom->getQuadrupole();
-                  Q *= mPoleConverter;
-                  Qk = Q * kVec;
+                  Q = atom->getQuadrupole() * mPoleConverter; 
+                  Qk = Q * kVec;                  
                   qk = dot(kVec, Qk);
                   qxk[i] = cross(kVec, Qk);
                   qkc[i] = qk * ckr[i];
@@ -1504,7 +1499,7 @@ namespace OpenMD {
                 RealType qtrq1 = AK[kk]*(skr[i]*(ckcs-dkss-qkcs)
                                          -ckr[i]*(ckss+dkcs-qkss));
                 RealType qtrq2 = 2.0*AK[kk]*(ckr[i]*(ckcs-dkss-qkcs)
-                                             +skr[i]*(ckss+dkcs-qkss));
+                                            +skr[i]*(ckss+dkcs-qkss));
                
                 atom->addFrc( 4.0 * rvol * qfrc * kVec );