--- branches/development/src/nonbonded/SC.cpp	2012/05/18 21:44:02	1710
+++ branches/development/src/nonbonded/SC.cpp	2013/04/30 15:56:54	1868
@@ -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).
  */
@@ -54,6 +54,21 @@ namespace OpenMD {
   SC::SC() : name_("SC"), initialized_(false), forceField_(NULL), 
              scRcut_(0.0), np_(3000) {}
   
+  SC::~SC() {
+    initialized_ = false;
+
+    map<pair<AtomType*, AtomType*>, SCInteractionData>::iterator it;
+    for (it = MixingMap.begin(); it != MixingMap.end(); ++it) {
+      SCInteractionData mixer = (*it).second;
+      delete mixer.V;
+      delete mixer.phi;
+    }
+
+    MixingMap.clear();
+    SCMap.clear();
+    SClist.clear();
+  }
+        
   RealType SC::getM(AtomType* atomType1, AtomType* atomType2) {    
     SuttonChenAdapter sca1 = SuttonChenAdapter(atomType1);
     SuttonChenAdapter sca2 = SuttonChenAdapter(atomType2);
@@ -278,8 +293,10 @@ namespace OpenMD {
     *(sdat.dfrhodrho) = 0.5 * *(sdat.frho) / *(sdat.rho);
 
     (*(sdat.pot))[METALLIC_FAMILY] += u;
-    *(sdat.particlePot) += u;
-    
+    if (sdat.doParticlePot) {
+      *(sdat.particlePot) += u;
+    }
+
     return;
   }
   
@@ -315,20 +332,22 @@ 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.c * data2.epsilon * 
-        sqrt( *(idat.rho2) - rhtmp) + *(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.c * data2.epsilon * 
+          sqrt( *(idat.rho2) - rhtmp) + *(idat.frho2);
 
-      *(idat.particlePot2) -= data1.c * data1.epsilon * 
-        sqrt( *(idat.rho1) - rhtmp) + *(idat.frho1);
+        *(idat.particlePot2) -= data1.c * data1.epsilon * 
+          sqrt( *(idat.rho1) - rhtmp) + *(idat.frho1);
+      }
       
       (*(idat.pot))[METALLIC_FAMILY] += pot_temp;
     }