--- trunk/src/applications/staticProps/RNEMDStats.cpp	2013/06/18 16:07:27	1881
+++ trunk/src/applications/staticProps/RNEMDStats.cpp	2013/06/18 17:16:15	1885
@@ -86,6 +86,16 @@ namespace OpenMD {
   }
 
   void RNEMDZ::processFrame(int istep) {
+    RealType z;
+
+    hmat_ = currentSnapshot_->getHmat();
+    for (int i = 0; i < nBins_; i++) {
+      z = (((RealType)i + 0.5) / (RealType)nBins_) * hmat_(2,2);
+      dynamic_cast<Accumulator*>(z_->accumulator[i])->add(z);
+    }
+    volume_ = currentSnapshot_->getVolume();
+
+
     Molecule* mol;
     RigidBody* rb;
     StuntDouble* sd;
@@ -96,8 +106,8 @@ namespace OpenMD {
     vector<RealType> binMass(nBins_, 0.0);
     vector<Vector3d> binVel(nBins_, V3Zero);
     vector<RealType> binKE(nBins_, 0.0);
-    vector<int> binDof(nBins_, 0);
-    vector<int> binCount(nBins_, 0);
+    vector<unsigned int> binDof(nBins_, 0);
+    vector<unsigned int> binCount(nBins_, 0);
     
     
     for (mol = info_->beginMolecule(mi); mol != NULL; 
@@ -110,7 +120,7 @@ namespace OpenMD {
         rb->updateAtoms();
       }
     }
-    
+   
     if (evaluator_.isDynamic()) {
       seleMan_.setSelectionSet(evaluator_.evaluate());
     }
@@ -122,14 +132,14 @@ namespace OpenMD {
       
       // figure out where that object is:
       Vector3d pos = sd->getPos(); 
-      currentSnapshot_->wrapVector(pos);
+      Vector3d vel = sd->getVel();
+      RealType m = sd->getMass();
 
       int bin = getBin(pos);
-      binCount[bin]++;
 
-      RealType m = sd->getMass();
+      binCount[bin] += 1;
+
       binMass[bin] += m;
-      Vector3d vel = sd->getVel();
       binVel[bin] += vel;
       binKE[bin] += 0.5 * (m * vel.lengthSquare());
       binDof[bin] += 3;
@@ -153,16 +163,19 @@ namespace OpenMD {
       }
     }
     
-    for (int i = 0; i < nBins_; i++) {
-      RealType temp = 2.0 * binKE[i] / (binDof[i] * PhysicalConstants::kb *
-                                        PhysicalConstants::energyConvert);
-      RealType den = binMass[i] * nBins_ * PhysicalConstants::densityConvert 
-        / volume_;
-      Vector3d vel = binVel[i] / RealType(binCount[i]);
-      dynamic_cast<Accumulator *>(temperature->accumulator[i])->add(temp);
-      dynamic_cast<VectorAccumulator *>(velocity->accumulator[i])->add(vel);
-      dynamic_cast<Accumulator *>(density->accumulator[i])->add(den);
-      dynamic_cast<Accumulator *>(counts_->accumulator[i])->add(1);
+    for (unsigned int i = 0; i < nBins_; i++) {
+
+      if (binDof[i] > 0) {
+        RealType temp = 2.0 * binKE[i] / (binDof[i] * PhysicalConstants::kb *
+                                          PhysicalConstants::energyConvert);
+        RealType den = binMass[i] * nBins_ * PhysicalConstants::densityConvert 
+          / volume_;
+        Vector3d vel = binVel[i] / RealType(binCount[i]);
+        dynamic_cast<Accumulator *>(temperature->accumulator[i])->add(temp);
+        dynamic_cast<VectorAccumulator *>(velocity->accumulator[i])->add(vel);
+        dynamic_cast<Accumulator *>(density->accumulator[i])->add(den);
+        dynamic_cast<Accumulator *>(counts_->accumulator[i])->add(1);
+      }
     }
   }