--- branches/development/src/nonbonded/Electrostatic.cpp	2011/05/27 16:45:44	1571
+++ branches/development/src/nonbonded/Electrostatic.cpp	2011/06/21 06:34:35	1586
@@ -52,11 +52,14 @@ namespace OpenMD {
 namespace OpenMD {
   
   Electrostatic::Electrostatic(): name_("Electrostatic"), initialized_(false),
-                                  forceField_(NULL) {}
+                                  forceField_(NULL), info_(NULL), haveCutoffRadius_(false),
+                                  haveDampingAlpha_(false), haveDielectric_(false),
+                                  haveElectroSpline_(false)
+ {}
   
   void Electrostatic::initialize() { 
 
-    Globals* simParams_;
+    Globals* simParams_ = info_->getSimParams();
 
     summationMap_["HARD"]               = esm_HARD;
     summationMap_["SWITCHING_FUNCTION"] = esm_SWITCHING_FUNCTION;
@@ -97,10 +100,6 @@ namespace OpenMD {
     screeningMethod_ = UNDAMPED;
     dielectric_ = 1.0;
     one_third_ = 1.0 / 3.0;
-    haveCutoffRadius_ = false;
-    haveDampingAlpha_ = false;
-    haveDielectric_ = false;  
-    haveElectroSpline_ = false;
   
     // check the summation method:
     if (simParams_->haveElectrostaticSummationMethod()) {
@@ -407,12 +406,14 @@ namespace OpenMD {
     return;
   }
   
-  void Electrostatic::setElectrostaticCutoffRadius( RealType theECR, 
-                                                    RealType theRSW ) {
-    cutoffRadius_ = theECR;
-    rrf_ = cutoffRadius_;
-    rt_ = theRSW;
+  void Electrostatic::setCutoffRadius( RealType rCut ) {
+    cutoffRadius_ = rCut;
+    rrf_ = cutoffRadius_;
     haveCutoffRadius_ = true;
+  }
+
+  void Electrostatic::setSwitchingRadius( RealType rSwitch ) {
+    rt_ = rSwitch;
   }
   void Electrostatic::setElectrostaticSummationMethod( ElectrostaticSummationMethod esm ) {
     summationMethod_ = esm;
@@ -909,7 +910,7 @@ namespace OpenMD {
       }
     }
 
-    idat.pot[ELECTROSTATIC_FAMILY] += epot;
+    (*(idat.pot))[ELECTROSTATIC_FAMILY] += epot;
     *(idat.f1) += dVdr;
 
     if (i_is_Dipole || i_is_Quadrupole) 
@@ -1020,7 +1021,7 @@ namespace OpenMD {
       }
       
       // accumulate the forces and torques resulting from the self term
-      idat.pot[ELECTROSTATIC_FAMILY] += myPot;
+      (*(idat.pot))[ELECTROSTATIC_FAMILY] += myPot;
       *(idat.f1) += dVdr;
       
       if (i_is_Dipole) 
@@ -1034,11 +1035,10 @@ namespace OpenMD {
     RealType mu1, preVal, chg1, self;
     
     if (!initialized_) initialize();
-    
+
     ElectrostaticAtomData data = ElectrostaticMap[sdat.atype];
    
     // logicals
-
     bool i_is_Charge = data.is_Charge;
     bool i_is_Dipole = data.is_Dipole;
 
@@ -1046,7 +1046,7 @@ namespace OpenMD {
       if (i_is_Dipole) {
         mu1 = data.dipole_moment;          
         preVal = pre22_ * preRF2_ * mu1 * mu1;
-        sdat.pot[2] -= 0.5 * preVal;
+        (*(sdat.pot))[ELECTROSTATIC_FAMILY] -= 0.5 * preVal;
         
         // The self-correction term adds into the reaction field vector
         Vector3d uz_i = sdat.eFrame->getColumn(2);
@@ -1063,7 +1063,7 @@ namespace OpenMD {
         } else {         
           self = - 0.5 * rcuti_ * chg1 * (chg1 +  *(sdat.skippedCharge)) * pre11_;
         }
-        sdat.pot[ELECTROSTATIC_FAMILY] += self;
+        (*(sdat.pot))[ELECTROSTATIC_FAMILY] += self;
       }
     }
   }