--- branches/development/src/parallel/ForceDecomposition.cpp	2011/05/29 01:49:17	1572
+++ branches/development/src/parallel/ForceDecomposition.cpp	2011/09/14 21:15:17	1629
@@ -47,10 +47,11 @@ namespace OpenMD {
 using namespace std;
 namespace OpenMD {
 
-  ForceDecomposition::ForceDecomposition(SimInfo* info) : info_(info) {
+  ForceDecomposition::ForceDecomposition(SimInfo* info, InteractionManager* iMan) : info_(info), interactionMan_(iMan) {
     sman_ = info_->getSnapshotManager();
     storageLayout_ = sman_->getStorageLayout();
     ff_ = info_->getForceField();
+    userChoseCutoff_ = false;
 
     Globals* simParams_ = info_->getSimParams();    
   
@@ -86,9 +87,12 @@ namespace OpenMD {
     cellOffsets_.push_back( Vector3i(1, -1,1) );
   }
 
-  SelfData ForceDecomposition::fillSelfData(int atom1) {
-    SelfData sdat;
-    // Still Missing atype, skippedCharge, potVec pot,
+  void ForceDecomposition::fillSelfData(SelfData &sdat, int atom1) {
+
+    sdat.atype = atypesLocal[atom1];
+
+    sdat.pot = &embeddingPot;
+
     if (storageLayout_ & DataStorage::dslElectroFrame) {
       sdat.eFrame = &(snap_->atomData.electroFrame[atom1]);
     }
@@ -109,7 +113,13 @@ namespace OpenMD {
       sdat.dfrhodrho = &(snap_->atomData.functionalDerivative[atom1]);
     }
 
-    return sdat;    
+    if (storageLayout_ & DataStorage::dslSkippedCharge) {
+      sdat.skippedCharge = &(snap_->atomData.skippedCharge[atom1]);
+    }
+
+    if (storageLayout_ & DataStorage::dslParticlePot) {
+      sdat.particlePot = &(snap_->atomData.particlePot[atom1]);
+    }
   }
 
   bool ForceDecomposition::checkNeighborList() {
@@ -137,6 +147,10 @@ namespace OpenMD {
     // a conservative test of list skin crossings
     dispmax = 2.0 * sqrt (3.0 * dispmax * dispmax);
 
-    return (dispmax > skinThickness_);    
+
+    if (dispmax > skinThickness_) 
+      return (dispmax > skinThickness_);   
+
+    return false;
   }
 }