--- trunk/src/brains/Snapshot.cpp	2013/07/01 21:09:37	1895
+++ trunk/src/brains/Snapshot.cpp	2013/08/07 15:24:16	1925
@@ -70,6 +70,7 @@ namespace OpenMD {
     frameData.torsionPotential = 0.0;   
     frameData.inversionPotential = 0.0; 
     frameData.lrPotentials = potVec(0.0);
+    frameData.reciprocalPotential = 0.0;
     frameData.excludedPotentials = potVec(0.0); 
     frameData.restraintPotential = 0.0; 
     frameData.rawPotential = 0.0;   
@@ -103,6 +104,7 @@ namespace OpenMD {
     frameData.torsionPotential = 0.0;   
     frameData.inversionPotential = 0.0; 
     frameData.lrPotentials = potVec(0.0);
+    frameData.reciprocalPotential = 0.0;
     frameData.excludedPotentials = potVec(0.0); 
     frameData.restraintPotential = 0.0; 
     frameData.rawPotential = 0.0;       
@@ -296,28 +298,28 @@ namespace OpenMD {
     hasVolume = true;
     frameData.volume = vol;
   }
+
 
   /** Wrap a vector according to periodic boundary conditions */
   void Snapshot::wrapVector(Vector3d& pos) {
     
     if( !frameData.orthoRhombic ) {
       Vector3d scaled = frameData.invHmat * pos;
-      for (int i = 0; i < 3; i++) 
-        scaled[i] -= roundMe(scaled[i]);
+      for (int i = 0; i < 3; i++) {
+        scaled[i] -= roundMe( scaled[i] );        
+      }
       // calc the wrapped real coordinates from the wrapped scaled coordinates
       pos = frameData.hmat * scaled;
     } else {
-      // calc the scaled coordinates.
       RealType scaled;
-      for (int i=0; i<3; i++) {
-        scaled = pos[i] * frameData.invHmat(i, i);
-        scaled -= roundMe(scaled);
-	pos[i] = scaled * frameData.hmat(i, i);
+      for (int i=0; i<3; i++) {      
+        scaled = pos[i] * frameData.invHmat(i,i);
+        scaled -= roundMe( scaled );
+        pos[i] = scaled * frameData.hmat(i,i);
       }
     }
   }
 
-
   /** Scaling a vector to multiples of the periodic box */
   inline Vector3d Snapshot::scaleVector(Vector3d& pos) {   
     
@@ -414,6 +416,14 @@ namespace OpenMD {
     return frameData.shortRangePotential;
   }
 
+  void Snapshot::setReciprocalPotential(RealType rp){
+    frameData.reciprocalPotential = rp;
+  }
+
+  RealType Snapshot::getReciprocalPotential() {
+    return frameData.reciprocalPotential;
+  }
+
   void Snapshot::setLongRangePotential(potVec lrPot) {
     frameData.lrPotentials = lrPot;
   }
@@ -423,6 +433,7 @@ namespace OpenMD {
       for (int i = 0; i < N_INTERACTION_FAMILIES; i++) {
         frameData.longRangePotential += frameData.lrPotentials[i];
       }
+      frameData.longRangePotential += frameData.reciprocalPotential;
       hasLongRangePotential = true;
     }   
     return frameData.longRangePotential;