--- branches/development/src/brains/Snapshot.cpp	2013/01/22 16:20:11	1838
+++ branches/development/src/brains/Snapshot.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).
  */
@@ -94,7 +94,9 @@ namespace OpenMD {
     frameData.id = -1;                   
     frameData.currentTime = 0;     
     frameData.hmat = Mat3x3d(0.0);             
-    frameData.invHmat = Mat3x3d(0.0);          
+    frameData.invHmat = Mat3x3d(0.0);      
+    frameData.bBox = Mat3x3d(0.0);             
+    frameData.invBbox = Mat3x3d(0.0);
     frameData.orthoRhombic = false;        
     frameData.bondPotential = 0.0;      
     frameData.bendPotential = 0.0;      
@@ -131,7 +133,7 @@ namespace OpenMD {
     frameData.electronicTemperature = 0.0;
     frameData.COM = V3Zero;             
     frameData.COMvel = V3Zero;          
-    frameData.COMw = V3Zero;            
+    frameData.COMw = V3Zero;  
 
     hasTotalEnergy = false;         
     hasTranslationalKineticEnergy = false;       
@@ -155,6 +157,7 @@ namespace OpenMD {
     hasGyrationalVolume = false;   
     hasHullVolume = false;
     hasConservedQuantity = false; 
+    hasBoundingBox = false;
   }
 
   /** Returns the id of this Snapshot */
@@ -252,8 +255,25 @@ namespace OpenMD {
   /** Returns the inverse H-Matrix */
   Mat3x3d Snapshot::getInvHmat() {
     return frameData.invHmat;
+  }
+
+  /** Returns the Bounding Box */
+  Mat3x3d Snapshot::getBoundingBox() {
+    return frameData.bBox;
+  }
+
+  /** Sets the Bounding Box */  
+  void Snapshot::setBoundingBox(const Mat3x3d& m) {
+    frameData.bBox = m;
+    frameData.invBbox = frameData.bBox.inverse();
+    hasBoundingBox = true;
   }
 
+  /** Returns the inverse Bounding Box */
+  Mat3x3d Snapshot::getInvBoundingBox() {
+    return frameData.invBbox;
+  }
+
   RealType Snapshot::getXYarea() {
     if (!hasXYarea) {
       Vector3d x = frameData.hmat.getColumn(0);