--- branches/development/src/nonbonded/EAM.cpp	2012/05/18 21:44:02	1710
+++ branches/development/src/nonbonded/EAM.cpp	2013/02/20 15:39:39	1850
@@ -35,7 +35,7 @@
  *                                                                      
  * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
  * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
- * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
  * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
  * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
@@ -90,7 +90,7 @@ namespace OpenMD {
 
     phivals.push_back(0.0);
 
-    for (int i = 1; i < rvals.size(); i++ ) {
+    for (unsigned int i = 1; i < rvals.size(); i++ ) {
       r = rvals[i];
 
       // only use z(r) if we're inside this atom's cutoff radius,
@@ -300,7 +300,9 @@ namespace OpenMD {
     *(sdat.dfrhodrho) = result.second;
 
     (*(sdat.pot))[METALLIC_FAMILY] += result.first;
-    *(sdat.particlePot) += result.first;
+    if (sdat.doParticlePot) {
+      *(sdat.particlePot) += result.first;
+    }
 
     return;
   }
@@ -392,21 +394,23 @@ namespace OpenMD {
     
     *(idat.f1) += *(idat.d) * dudr / *(idat.rij);
         
-    // particlePot is the difference between the full potential and
-    // the full potential without the presence of a particular
-    // particle (atom1).
-    //
-    // This reduces the density at other particle locations, so we
-    // need to recompute the density at atom2 assuming atom1 didn't
-    // contribute.  This then requires recomputing the density
-    // functional for atom2 as well.
-    
-    *(idat.particlePot1) += data2.F->getValueAt( *(idat.rho2) - rha ) 
-      - *(idat.frho2);
+    if (idat.doParticlePot) {
+      // particlePot is the difference between the full potential and
+      // the full potential without the presence of a particular
+      // particle (atom1).
+      //
+      // This reduces the density at other particle locations, so we
+      // need to recompute the density at atom2 assuming atom1 didn't
+      // contribute.  This then requires recomputing the density
+      // functional for atom2 as well.
+      
+      *(idat.particlePot1) += data2.F->getValueAt( *(idat.rho2) - rha ) 
+        - *(idat.frho2);
+      
+      *(idat.particlePot2) += data1.F->getValueAt( *(idat.rho1) - rhb) 
+        - *(idat.frho1);
+    }
     
-    *(idat.particlePot2) += data1.F->getValueAt( *(idat.rho1) - rhb) 
-      - *(idat.frho1);
-    
     (*(idat.pot))[METALLIC_FAMILY] += phab;
     
     *(idat.vpair) += phab;