--- branches/development/src/parallel/ForceDecomposition.cpp	2012/05/24 20:59:54	1723
+++ branches/development/src/parallel/ForceDecomposition.cpp	2012/06/22 20:01:37	1761
@@ -49,6 +49,7 @@ namespace OpenMD {
 namespace OpenMD {
 
   ForceDecomposition::ForceDecomposition(SimInfo* info, InteractionManager* iMan) : info_(info), interactionMan_(iMan), needVelocities_(false) {
+
     sman_ = info_->getSnapshotManager();
     storageLayout_ = sman_->getStorageLayout();
     ff_ = info_->getForceField();
@@ -98,6 +99,7 @@ namespace OpenMD {
     sdat.atype = atypesLocal[atom1];
 
     sdat.pot = &embeddingPot;
+    sdat.excludedPot = &excludedSelfPot;
 
     if (storageLayout_ & DataStorage::dslElectroFrame) {
       sdat.eFrame = &(snap_->atomData.electroFrame[atom1]);
@@ -126,6 +128,14 @@ namespace OpenMD {
     if (storageLayout_ & DataStorage::dslParticlePot) {
       sdat.particlePot = &(snap_->atomData.particlePot[atom1]);
     }
+    
+    if (storageLayout_ & DataStorage::dslFlucQPosition) {
+      sdat.flucQ = &(snap_->atomData.flucQPos[atom1]);
+    }
+    
+    if (storageLayout_ & DataStorage::dslFlucQForce) {
+      sdat.dVdFQ = &(snap_->atomData.flucQFrc[atom1]);
+    }
   }
 
   bool ForceDecomposition::checkNeighborList() {
@@ -163,10 +173,12 @@ namespace OpenMD {
   }
 
   void ForceDecomposition::addToHeatFlux(Vector3d hf) {
-    snap_->frameData.conductiveHeatFlux += hf;
+    Vector3d chf = snap_->getConductiveHeatFlux();
+    chf += hf;
+    snap_->setConductiveHeatFlux(chf);
   }
   void ForceDecomposition::setHeatFlux(Vector3d hf) {
-    snap_->frameData.conductiveHeatFlux = hf;
+    snap_->setConductiveHeatFlux(hf);
   }
 
 }